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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:15:51"]
[]
["Physical Properties for","Hydrogen","(ID",1]
[]
["Formula:","H2"]
[]
["Molecular Weight         :",2.0158]
[]
["Critical Temperature     :",33.26999,"K"]
["Critical Pressure        :",12.95947,"bar"]
["Critical Volume          :",6.5001000000000003E-2,"m3/kmol",{"$f":"B13*1000","v":65.001000000000005},"cm³/mol",null,"1m³/kmol = 1000 cm³/mol"]
[]
["Melting point            :",13.94999,"K",null,"heat of fusion",null,117.5,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",20.39001,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",-0.22]
["Solubility parameter     :",6647.8,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",3.7080000000000003E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",0.90376330000000005,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",0.95499999999999996,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.31390000000000001]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",47.48]
["API gravity              :",0]
["Specific gravity 60 F    :",7.0000000000000007E-2]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",13.95,"Min value:",38.511249999999997]
["Max T(K):",33.18,"Max value:",15.6355]
[]
["Coeffs:",5.3840000000000003,0.3473,33.18,0.27560000000000001,0]
[]
["Solid Density (kmol/m3)                Equation Number:",0]
[]
["Min T(K):","2023 eingefügt, fehlte"]
["Max T(K):","\""]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",13.95,"Min value:",7207.3429999999998]
["Max T(K):",33.18,"Max value:",1313491]
[]
["Coeffs:",12.752000000000001,-95.132999999999996,1.0947,3.3589999999999998E-4,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",13.95,"Min value:",920097.5]
["Max T(K):",33.270000000000003,"Max value:",2506.2510000000002]
[]
["Coeffs:",1219900,1.4286000000000001,-2.9817,1.9370000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",250,"Min value:",28426.47]
["Max T(K):",1500,"Max value:",32248.080000000002]
[]
["Coeffs:",27617,9560,2466,3760,567.6]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",14,"Min value:",13932.63]
["Max T(K):",32,"Max value:",35971.35]
[]
["Coeffs:",22560,-1985.9,115.47,-1.2598,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",13.96,"Min value:",5730]
["Max T(K):",13.96,"Max value:",5730]
[]
["Coeffs:",5730,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",15,"Min value:",6.8447979999999996E-7]
["Max T(K):",1500,"Max value:",2.735943E-5]
[]
["Coeffs:",1.5599999999999999E-7,0.70599999999999996,-5.87,210,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",14,"Min value:",2.5455420000000002E-5]
["Max T(K):",33,"Max value:",3.7851789999999998E-6]
[]
["Coeffs:",-11.986000000000001,26.26,-0.1774,-4.4E-16,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",14,"Min value:",1.105623E-2]
["Max T(K):",1500,"Max value:",0.58575149999999998]
[]
["Coeffs:",2.5469999999999998E-3,0.74439999999999995,9,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",14,"Min value:",8.9852790000000002E-2]
["Max T(K):",33.18,"Max value:",6.4528089999999996E-2]
[]
["Coeffs:",-0.49359999999999998,0.1008,-6.5500000000000003E-3,1.9909999999999999E-4,-2.3499999999999999E-6]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",13.95,"Min value:",2.9956290000000001E-3]
["Max T(K):",33.270000000000003,"Max value:",1.958016E-10]
[]
["Coeffs:",5.3359999999999996E-3,1.0622,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",14.8]
[null,232.32]
[null,8.08]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.0896999999999997]
[null,-4.4450000000000002E-3]
[null,3.9050000000000001E-5]
[null,-7.7054999999999997E-8]
[null,5.8949000000000005E-11]
[null,-1.5548000000000001E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",13.82]
[null,5.39]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[null,null,null,null,null,"R0 cm³/mol Gl. 32"]
["Henrys Constants"]
["Coefficients:",-3431]
[null,1.7529999999999999]
[null,-9.8700000000000003E-3]
[null,14.598000000000001]
[]
["MSRK Parameters"]
["Coefficients:",0.25629999999999997]
[null,-7.4200000000000002E-2]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"weitere Excel Dateien"]
[null,null,null,null,"Quelle:","de.abcdef.wiki/wiki/List_of_refractive_indices ",null,null,null,null,"sonstige","Brechungsindex n20D D'Ans Lax Bnd 2.",null,null,null,"Brechungsindex Perrys Standard Tables a. Formulas S.294 ff:",null,null,null,null,null,null,null,null,"LJ Parameter - CC Daten 2022\\LJ Par Virial SRK 2022.xlsm"]
[null,null,null,null,"ideales Gas",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"LJ Parameter - CC Daten 2022\\LJPar Mourits.xlsx"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,2.827,"Å",null,293,"pm",null,null,null,null,2.9279999999999999,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.9436851084273075},null,{"$f":"(D54+D55)/2","v":27.073374999999999},"kmol/m³",{"$f":"G15","v":117.5},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":0.90376330000000005},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":1021.2633000000001}]
["ε/k ",59.7,59.7,"K",null,37,"K",null,null,null,null,37,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität ?"]
["σ",{"$f":"C186","v":3.2527838194701277},{"$f":"0.809*(B13*1000)^(1/3)","v":3.2527838194701277},"Å",null,2.9578724762073501,"Å",null,3.2527838194701268,"Å"]
["ε/k",{"$f":"C187","v":26.419431430159612},{"$f":"B11/1.2593","v":26.419431430159612},"K",null,41.1456431386015,"K",null,26.419431430159612,"K"]
["aq"]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,14.447388885173126]
[null,378.15,14.536209296458745]
[null,383.15,14.621981178030342]
[null,388.15,14.704834129955847]
[null,393.15,14.784890780437292]
[null,398.15,14.862267241970555]
[null,403.15,14.937073532384392]
[null,408.15,15.00941396385665]
[null,413.15,15.079387502708533]
[null,418.15,15.147088102493834]
[null,423.15,15.212605012662396]
[null,428.15,15.276023064850028]
[null,433.15,15.337422938663241]
[null,438.15,15.396881408638947]
[null,443.15,15.454471573916571]
[null,448.15,15.510263072007657]
[null,453.15,15.564322277932447]
[null,458.15,15.616712489869071]
[null,463.15,15.667494102369208]
[null,468.15,15.716724768094869]
[null,473.15,15.764459548949555]
[null,463.15,15.667494102369208]
[null,468.15,15.716724768094869]
[null,473.15,15.764459548949555]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":0.25240764690972578}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":1.8493529848315714E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":2.526988754368335E-2}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":25.237685816551725}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0001371999999999,20,"°C","Quelle:","de.abcdef.wiki/wiki/List_of_refractive_indices ",null,null,null,null,"sonstige","Brechungsindex n20D D'Ans Lax Bnd 2.",null,null,null,"Brechungsindex Perrys Standard Tables a. Formulas S.294 ff:",null,null,null,null,null,null,null,null,"LJ Parameter - CC Daten 2022\\LJ Par Virial SRK 2022.xlsm"]
["Dichte bei der Temperatur des Brechungsindex",8.2703398730215316E-2,"g/cm³","MG/V0","ideales Gas",null,null,"s. Datei Refraktionen.xlsm",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"LJ Parameter - CC Daten 2022\\LJPar Mourits.xlsx"]
["R0 ",2.0369999999999999,"cm³/mol","Moelwyn-Hughes S. 206 Gl. 30",null,"Berechnet"]
["α0/4πε0",8.1E-25,"cm³","Moelwyn-Hughes",null,{"$f":"alphaR0(B232)","v":8.0751670875472226E-25},"Gl. 33"]
[" νg",2820000000000000,"s-1","Moelwyn-Hughes",null,{"$f":"vgR0(B232)","v":2818583933070291}]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",9.0206947190234412E-60]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",9.0206947190234412E-60]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",8.5906753515073418E-105]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6",1.6829548155586125E-59]
["A Stoßberechnung",1.5324009871617685E-104]

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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:00"]
[]
["Physical Properties for","Helium-4","(ID",212]
[]
["Formula:","He"]
[]
["Molecular Weight         :",4.0026000000000002]
[]
["Critical Temperature     :",5.1999870000000001,"K"]
["Critical Pressure        :",2.2749999999999999,"bar"]
["Critical Volume          :",5.7299999999999997E-2,"m3/kmol"]
[]
["Melting point            :",1.7599849999999999,"K",null,"heat of fusion",null,50,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",4.2200069999999998,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",-0.39]
["Solubility parameter     :",1222.3,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",0,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",9.2049969999999995E-2,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",3.9759000000000002,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.30099999999999999]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",5.9087150000000001E-3]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",1.76,"Min value:",38.08672]
["Max T(K):",5.2,"Max value:",17.314859999999999]
[]
["Coeffs:",7.2480000000000002,0.41860000000000003,5.2,0.24099999999999999,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",1.73,"Min value:",47.969000000000001]
["Max T(K):",1.73,"Max value:",47.969000000000001]
[]
["Coeffs:",47.969000000000001,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",1.76,"Min value:",1462.5409999999999]
["Max T(K):",5.2,"Max value:",228449.8]
[]
["Coeffs:",11.532999999999999,-8.99,0.6724,0.27429999999999999,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",2.2000000000000002,"Min value:",96582.39]
["Max T(K):",5.2,"Max value:",740.71220000000005]
[]
["Coeffs:",125040,1.3038000000000001,-2.6953999999999998,1.7098,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",100]
[]
["Min T(K):",100,"Min value:",20786]
["Max T(K):",1500,"Max value:",20786]
[]
["Coeffs:",20786,0,0,0,0]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",2.2000000000000002,"Min value:",13869.93]
["Max T(K):",5.05,"Max value:",52246.01]
[]
["Coeffs:",584400,-686460,302680,-58735,4274]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",0]
[]
["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",20,"Min value:",3.5304589999999998E-6]
["Max T(K):",2000,"Max value:",7.5606589999999995E-5]
[]
["Coeffs:",3.2529999999999998E-7,0.71619999999999995,-9.6,107,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",2.2000000000000002,"Min value:",3.6284389999999999E-6]
["Max T(K):",5.0999999999999996,"Max value:",2.5318769999999998E-6]
[]
["Coeffs:",-9.6311999999999998,-3.8410000000000002,-1.458,-1.0649999999999999E-8,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",100,"Min value:",6.9884719999999997E-2]
["Max T(K):",2000,"Max value:",0.61827160000000003]
[]
["Coeffs:",8.5899999999999995E-4,0.85929999999999995,-95.7,6000,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",2.2000000000000002,"Min value:",1.54564E-2]
["Max T(K):",5.2,"Max value:",2.1318400000000001E-2]
[]
["Coeffs:",7.8399999999999997E-3,4.1000000000000003E-3,-2.9E-4,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",2.2000000000000002,"Min value:",2.9452839999999998E-4]
["Max T(K):",5.2,"Max value:",4.872217E-11]
[]
["Coeffs:",5.1135999999999998E-4,1.0029999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",12.250999999999999]
[null,33.732999999999997]
[null,1.79]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",4.9678699999999996]
[null,6.7965099999999998E-14]
[null,-2.4709799999999998E-16]
[null,3.7674000000000001E-19]
[null,-2.5367999999999998E-22]
[null,6.2315199999999999E-26]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",0]
[null,0]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-26060]
[null,-7.7999999999999999E-4]
[null,-8.8499999999999995E-2]
[null,110.7]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,2.5510000000000002,"Å",null,256,"pm",null,null,null,null,2.556,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.9136829941372291},null,{"$f":"(D54+D55)/2","v":27.700789999999998},"kmol/m³",{"$f":"G15","v":50},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":9.2049969999999995E-2},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":142.04997}]
["ε/k ",59.7,10.220000000000001,"K",null,10.220000000000001,"K",null,null,null,null,10.220000000000001,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.1188900312726457},{"$f":"0.809*(B13*1000)^(1/3)","v":3.1188900312726457},"Å",null,2.6011352091368907,"Å",null,4.59414019328959,"Å"]
["ε/k",{"$f":"C187","v":4.1292678472167079},{"$f":"B11/1.2593","v":4.1292678472167079},"K",null,29.46665624027008,"K",null,4.1292678472167079,"K"]
[null,null,{"$f":"C187^0.5*C186^2","v":19.766812912371492},null,null,{"$f":"F187^0.5*F186^2","v":36.727492932846054},null,null,{"$f":"I187^0.5*I186^2","v":42.88891058912651}]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,10.986667058617599]
[null,378.15,11.019452362553848]
[null,383.15,11.050918901798761]
[null,388.15,11.081124627891846]
[null,393.15,11.110124340198414]
[null,398.15,11.137969892822486]
[null,403.15,11.164710385593846]
[null,408.15,11.190392340533956]
[null,413.15,11.215059865064697]
[null,418.15,11.238754803102081]
["Lennard-Jones Literatur",423.15,11.26151687506459]
[null,428.15,11.283383807728795]
[null,433.15,11.304391454775287]
[null,438.15,11.32457390879042]
[null,443.15,11.343963605417581]
[null,448.15,11.362591420287766]
[null,453.15,11.380486506517224]
[null,458.15,11.397677456707425]
[null,463.15,11.414190666288553]
[null,468.15,11.430051614080591]
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[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":3.512428746910614E-2}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":1.6465512001999496E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":7.5211061801429873}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.93200186476184}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0000359999999999]
["Dichte bei der Temperatur des Brechungsindex",0.16421699759775765]
["R0 ",0.51715999999999995,123]
["α0/4πε0","0,20364*1E--24"]
[" νg",5598000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",1.1536560918179532E-60]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",1.1536560918179532E-60]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",4.2866662644850905E-106]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6",1.5554531023731662E-60]
[null,8.2219502439669165E-104]

{"sheet":"Ne","index":2,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:06"]
[]
["Physical Properties for","Neon","(ID",107]
[]
["Formula:","Ne"]
[]
["Molecular Weight         :",20.18]
[]
["Critical Temperature     :",44.4,"K"]
["Critical Pressure        :",26.53,"bar"]
["Critical Volume          :",4.1700000000000001E-2,"m3/kmol"]
[]
["Melting point            :",24.549990000000001,"K",null,"heat of fusion",null,328.1,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",27.09,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",-4.1399999999999999E-2]
["Solubility parameter     :",9417.2999999999993,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",0,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",1.8409990000000001,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",0,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.7855434]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",24.56,"Min value:",61.796460000000003]
["Max T(K):",44.4,"Max value:",24.310199999999998]
[]
["Coeffs:",7.3718000000000004,0.30669999999999997,44.4,0.27860000000000001,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
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["Max T(K):",0,"Max value:",0]
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["Coeffs:",74.691000000000003,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
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["Max T(K):",44.4,"Max value:",2653031]
[]
["Coeffs:",4.9329999999999998,-137.84,3.6341000000000001,-4.1711999999999999E-4,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",24.56,"Min value:",1738165]
["Max T(K):",44.4,"Max value:",63674.57]
[]
["Coeffs:",1038400,-1.7749999999999999,2.1821999999999999,-0.23400000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",100]
[]
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["Max T(K):",1500,"Max value:",20786]
[]
["Coeffs:",20786,0,0,0,0]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
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["Coeffs:",1479000,-195140,9797.2999999999993,-217.01,1.8003]
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["Solid Heat Capacity (J/kmol-K)         Equation Number:",0]
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["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
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[]
["Coeffs:",8.3462000000000004E-7,0.64459999999999995,11.58,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",25.09,"Min value:",1.6018019999999999E-4]
["Max T(K):",44.13,"Max value:",2.705711E-5]
[]
["Coeffs:",-17.945,115.57,1.4279999999999999,-2.14E-17,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
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["Coeffs:",1.3010000000000001E-3,0.64559999999999995,15,0,0]
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["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
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[]
["Coeffs:",0.29709999999999998,-1.7356E-2,5.911E-4,-7.4209999999999998E-6,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",24.56,"Min value:",5.6605350000000004E-3]
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[]
["Coeffs:",1.5633000000000001E-2,1.2611000000000001,0,0,0]
[]
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[null,264.73]
[null,2.8279999999999998]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",4.9646999999999997]
[null,0]
[null,0]
[null,0]
[null,0]
[null,0]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",0]
[null,0]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-20180]
[null,2.8400000000000001E-3]
[null,-7.9500000000000001E-2]
[null,94.62]
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["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
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["ε/k ",59.7,32.799999999999997,"K",null,35.6,"K",null,32,"K",null,35.6,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":2.8053940610899919},{"$f":"0.809*(B13*1000)^(1/3)","v":2.8053940610899919},"Å",null,2.632135218195939,null,null,0.98868464620833196]
["ε/k",{"$f":"C187","v":35.257682839672832},{"$f":"B11/1.2593","v":35.257682839672832},"K",null,24.789580680937412,null,null,59.7]
[null,null,{"$f":"C187^0.5*C186^2","v":46.7320281812069},null,null,{"$f":"F187^0.5*F186^2","v":34.494589622539749}]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,11.755987396880055]
[null,378.15,11.778771187856561]
[null,383.15,11.800493527996954]
[null,388.15,11.82120288983684]
[null,393.15,11.840944255469747]
[null,398.15,11.859760434567418]
[null,403.15,11.877691921978446]
[null,408.15,11.894777162386397]
[null,413.15,11.911052523361708]
[null,418.15,11.926552484309573]
["Lennard-Jones Literatur",423.15,11.94130975388078]
[null,428.15,11.955355378848052]
[null,433.15,11.968718845156486]
[null,438.15,11.981428171793452]
[null,443.15,11.99350999806016]
[null,448.15,12.004989664776776]
[null,453.15,12.0158912899028]
[null,458.15,12.026237839012833]
[null,463.15,12.0360511910278]
[null,468.15,12.045352199566999]
[null,473.15,12.054160750254477]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":0.2195902728570634}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":1.2055912938080128E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.756831315656673E-2}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":25.07564244486607}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0000072499999999]
["Dichte bei der Temperatur des Brechungsindex",0.8279365940945258]
["R0 ",0.99697999999999998]
["α0/4πε0",3.9256000000000002E-25]
[" νg",4032000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",3.0878052850628576E-60]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",3.0878052850628576E-60]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",4.5814865670679983E-105]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,8.029073442384934E-104]

{"sheet":"Ar","index":3,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:11"]
[]
["Physical Properties for","Argon","(ID",98]
[]
["Formula:","Ar"]
[]
["Molecular Weight         :",39.948]
[]
["Critical Temperature     :",150.86000000000001,"K"]
["Critical Pressure        :",48.980499999999999,"bar"]
["Critical Volume          :",7.46E-2,"m3/kmol"]
[]
["Melting point            :",83.8,"K",null,"heat of fusion",null,1182,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",87.28,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",0]
["Solubility parameter     :",14138,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",0,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",6.5271800000000004,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",2.75,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",1.283701]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",83.78,"Min value:",35.531239999999997]
["Max T(K):",150.86000000000001,"Max value:",13.2972]
[]
["Coeffs:",3.8029999999999999,0.28599999999999998,150.86000000000001,0.2984,0]
[]
["Solid Density (kmol/m3)                Equation Number:",0]
[]
["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",83.78,"Min value:",68799.7]
["Max T(K):",150.86000000000001,"Max value:",4893819]
[]
["Coeffs:",39.232999999999997,-1051.7,-3.5895000000000001,5.0444E-5,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",83.78,"Min value:",6562467]
["Max T(K):",150.86000000000001,"Max value:",29989.17]
[]
["Coeffs:",8729000,0.35199999999999998,0,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",100]
[]
["Min T(K):",100,"Min value:",20786]
["Max T(K):",1500,"Max value:",20786]
[]
["Coeffs:",20786,0,0,0,0]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",83.8,"Min value:",48413.31]
["Max T(K):",135,"Max value:",68104.02]
[]
["Coeffs:",182260,-2827.4,14.68,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",0]
[]
["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",83.78,"Min value:",7.0263330000000002E-6]
["Max T(K):",3273.1,"Max value:",1.2138679999999999E-4]
[]
["Coeffs:",8.3860000000000001E-7,0.61750000000000005,75.376999999999995,-432.5,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",84.099990000000005,"Min value:",2.919431E-4]
["Max T(K):",150,"Max value:",3.8102909999999998E-5]
[]
["Coeffs:",-8.8680000000000003,204.3,-0.3831,-1.3E-22,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",90,"Min value:",3.3930779999999999E-3]
["Max T(K):",7000,"Max value:",0.18923970000000001]
[]
["Coeffs:",1.236E-4,0.82620000000000005,-132.80000000000001,16000,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
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["Min T(K):",83.78,"Min value:",0.126443]
["Max T(K):",150,"Max value:",4.1784990000000001E-2]
[]
["Coeffs:",0.18190000000000001,-3.1760000000000002E-4,-4.1099999999999996E-6,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",83.78,"Min value:",1.340906E-2]
["Max T(K):",150.86000000000001,"Max value:",3.41589E-11]
[]
["Coeffs:",3.823E-2,1.2927,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.93]
[null,832.78]
[null,2.3610000000000002]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",4.9646999999999997]
[null,0]
[null,0]
[null,0]
[null,0]
[null,0]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",107.57]
[null,58.76]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-10260]
[null,-6.4999999999999997E-4]
[null,-2.6800000000000001E-2]
[null,46.8]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
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["ε/k ",59.7,93.3,"K",null,120,"K",null,113.5,"K",null,119.8,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
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["ε/k",{"$f":"C187","v":119.7967124593028},{"$f":"B11/1.2593","v":119.7967124593028},"K",null,111.73029167383534,null,null,{"$f":"C183","v":93.3}]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
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[null,378.15,-0.37746865726961365]
[null,383.15,0.21183491978593161]
[null,388.15,0.78376389199808816]
[null,393.15,1.3390403376000295]
[null,398.15,1.8783472788034616]
[null,403.15,2.4023312777442625]
[null,408.15,2.9116048284180223]
[null,413.15,3.4067485630510288]
[null,418.15,3.8883132894823174]
[null,423.15,4.3568218744417848]
[null,428.15,4.8127709861514951]
[null,433.15,5.2566327083417619]
["Lennard-Jones Literatur",438.15,5.6888560366088612]
[null,443.15,6.1098682669930229]
[null,448.15,6.5200762857169305]
[null,453.15,6.9198677681852612]
[null,458.15,7.3096122946054045]
[null,463.15,7.6896623889055347]
[null,468.15,8.0603544870249628]
[null,473.15,8.4220097788834778]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":1.3731228704185439},null,"2023-10-10"]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.2187341715370328E-2},"l"]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.57480970877798454}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.567158194734628}]
["sigma",{"$f":"(B219/6.02214076E+23)^(1/3)*10","v":3.3275004528806401E-8},"cm"]
["A stoß",{"$f":"B222^12*298*1.380649E-16","v":7.5808346800953213E-104}]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.2330000000000001]
["Dichte bei der Temperatur des Brechungsindex",1.6389698246228006]
["R0 ",4.1429999999999998,4.7884867509484987]
["α0/4πε0",1.6264E-24]
[" νg",1981000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",2.6040930568815849E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.6040930568815849E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",2.0091279713371075E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,1.27815925391513E-102]

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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:14"]
[]
["Physical Properties for","Krypton","(ID",971]
[]
["Formula:","Kr"]
[]
["Molecular Weight         :",83.8]
[]
["Critical Temperature     :",209.35,"K"]
["Critical Pressure        :",55.02,"bar"]
["Critical Volume          :",9.1200000000000003E-2,"m3/kmol"]
[]
["Melting point            :",115.78,"K",null,"heat of fusion",null,1640.14,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",119.8,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",0]
["Solubility parameter     :",15276,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",0,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",0,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",0,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",1.3955709999999999]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",115.78,"Min value:",29.227540000000001]
["Max T(K):",209.35,"Max value:",11.06016]
[]
["Coeffs:",3.1593,0.28839999999999999,209.35,0.29389999999999999,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",115.76,"Min value:",33.722999999999999]
["Max T(K):",115.76,"Max value:",33.722999999999999]
[]
["Coeffs:",33.722999999999999,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",115.78,"Min value:",73505.69]
["Max T(K):",209.35,"Max value:",5498309]
[]
["Coeffs:",26.224,-1226.2,-0.93272999999999995,1.6349999999999999E-15,6]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",115.78,"Min value:",9197083]
["Max T(K):",209.35,"Max value:",55082.67]
[]
["Coeffs:",10118000,-0.13508000000000001,0.45851999999999998,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",100]
[]
["Min T(K):",100,"Min value:",20786]
["Max T(K):",6200,"Max value:",20786]
[]
["Coeffs:",20786,0,0,0,0]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",115.78,"Min value:",44150.44]
["Max T(K):",125,"Max value:",45255]
[]
["Coeffs:",30280,119.8,0,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",0]
[]
["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",100,"Min value:",8.9511369999999993E-6]
["Max T(K):",1500,"Max value:",8.3552230000000005E-5]
[]
["Coeffs:",3.236E-6,0.46589999999999998,256.58,-4760,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",100]
[]
["Min T(K):",119.75,"Min value:",4.3100000000000001E-4]
["Max T(K):",119.75,"Max value:",4.3100000000000001E-4]
[]
["Coeffs:",4.3100000000000001E-4,0,0,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",120,"Min value:",3.9682169999999996E-3]
["Max T(K):",2000,"Max value:",3.8329389999999998E-2]
[]
["Coeffs:",7.293E-4,0.53300000000000003,188.56,-3074.3,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",115.78,"Min value:",9.4496120000000003E-2]
["Max T(K):",210,"Max value:",2.8495010000000001E-2]
[]
["Coeffs:",0.17560000000000001,-7.0049999999999995E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",115.78,"Min value:",1.64113E-2]
["Max T(K):",209.35,"Max value:",1.056851E-10]
[]
["Coeffs:",4.4249999999999998E-2,1.2317,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",0]
[null,0]
[null,0]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",4.9678699999999996]
[null,-7.9063600000000001E-15]
[null,8.5484300000000007E-18]
[null,-3.5423199999999999E-21]
[null,6.2201600000000003E-25]
[null,-3.8956600000000002E-29]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",0]
[null,0]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.6549999999999998,"Å",null,383,"pm",null,366.2,"pm",null,3.61,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.3521334513983385},null,{"$f":"(D54+D55)/2","v":20.14385},"kmol/m³",{"$f":"G15","v":1640.14},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":0},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":1640.14}]
["ε/k ",59.7,178.6,"K",null,164,"K",null,178,"K",null,171,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.6414984915475994},{"$f":"0.809*(B13*1000)^(1/3)","v":3.6414984915475994},"Å",null,3.908101437413698,null,null,1.5728141052826141]
["ε/k",{"$f":"C187","v":166.24315095688078},{"$f":"B11/1.2593","v":166.24315095688078},"K",null,153.31652901690049,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-25.908454436542939]
[null,378.15,-24.659643777162628]
[null,383.15,-23.44827387768219]
[null,388.15,-22.272736426234413]
[null,393.15,-21.131513327998217]
[null,398.15,-20.023170481578436]
[null,403.15,-18.94635206297211]
[null,408.15,-17.899775269506108]
[null,413.15,-16.882225481171886]
[null,418.15,-15.892551801222952]
["Lennard-Jones Literatur",423.15,-14.929662941818268]
[null,428.15,-13.992523423998774]
[null,433.15,-13.080150064336465]
[null,438.15,-12.191608723377957]
[null,443.15,-11.326011293398453]
[null,448.15,-10.482512905201515]
[null,453.15,-9.6603093356072449]
[null,458.15,-8.8586345990195667]
[null,463.15,-8.0767587080159213]
[null,468.15,-7.3139855892943917]
[null,473.15,-6.5696511425473405]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":2.3540178544966124}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.7409856514611024E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.77419634672490756}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":23.701523953702598}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur"]
["Dichte bei der Temperatur des Brechungsindex",3.4381113273102706]
["R0 ",6.2560000000000002]
["α0/4πε0",2.4558999999999999E-24]
[" νg",1612000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",4.8317414688048304E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",4.8317414688048304E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",5.6062608911848965E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,4.120277047836591E-102]

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[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:17"]
[]
["Physical Properties for","Xenon","(ID",994]
[]
["Formula:","Xe"]
[]
["Molecular Weight         :",131.29]
[]
["Critical Temperature     :",289.74,"K"]
["Critical Pressure        :",58.404000000000003,"bar"]
["Critical Volume          :",0.11799999999999999,"m3/kmol"]
[]
["Melting point            :",161.36000000000001,"K",null,"heat of fusion",null,2294.96,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",165.03,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",0]
["Solubility parameter     :",15909,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",0,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",0,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",0,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",1.41733]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",161.36000000000001,"Min value:",22.684650000000001]
["Max T(K):",289.74,"Max value:",8.4277820000000006]
[]
["Coeffs:",2.4062999999999999,0.28552,289.74,0.28966999999999998,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",161.36000000000001,"Min value:",26.963000000000001]
["Max T(K):",161.36000000000001,"Max value:",26.963000000000001]
[]
["Coeffs:",26.963000000000001,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",161.36000000000001,"Min value:",82577.039999999994]
["Max T(K):",289.74,"Max value:",5838706]
[]
["Coeffs:",40.935000000000002,-1865.9,-3.9013,1.1049E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",161.36000000000001,"Min value:",12712900]
["Max T(K):",289.74,"Max value:",101403]
[]
["Coeffs:",12643000,-0.3916,0.69099999999999995,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",100]
[]
["Min T(K):",50,"Min value:",20786]
["Max T(K):",1500,"Max value:",20786]
[]
["Coeffs:",20786,0,0,0,0]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",163.15,"Min value:",44660]
["Max T(K):",166.48,"Max value:",44660]
[]
["Coeffs:",44660,0,0,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",0]
[]
["Min T(K):"]
["Max T(K):"]
[]
["Coeffs:",0,0,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",100,"Min value:",7.0217419999999999E-6]
["Max T(K):",1600,"Max value:",8.9058179999999999E-5]
[]
["Coeffs:",1.3859999999999999E-6,0.57899999999999996,184,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",100]
[]
["Min T(K):",165.02,"Min value:",4.3100000000000001E-4]
["Max T(K):",165.02,"Max value:",4.3100000000000001E-4]
[]
["Coeffs:",4.3100000000000001E-4,0,0,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",165,"Min value:",3.123476E-3]
["Max T(K):",1500,"Max value:",2.1931119999999998E-2]
[]
["Coeffs:",1.5469999999999999E-4,0.68689999999999996,107.6,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",161.36000000000001,"Min value:",7.3445200000000002E-2]
["Max T(K):",270,"Max value:",3.0244500000000001E-2]
[]
["Coeffs:",0.13761000000000001,-3.9764999999999999E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",161.36000000000001,"Min value:",1.9110519999999999E-2]
["Max T(K):",289.74,"Max value:",5.6818789999999997E-11]
[]
["Coeffs:",5.4299E-2,1.2828999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",0]
[null,0]
[null,0]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",4.9678699999999996]
[null,-1.25292E-14]
[null,5.4162099999999999E-17]
[null,-9.1568399999999998E-20]
[null,6.6021800000000003E-23]
[null,-1.7023099999999999E-26]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",0]
[null,0]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",0.4304]
[null,8.3400000000000002E-2]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,4.0469999999999997,"Å",null,406,"pm",null,405,"pm",null,4.0999999999999996,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.7436762562756662},null,{"$f":"(D54+D55)/2","v":15.556216000000001},"kmol/m³",{"$f":"G15","v":2294.96},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":0},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":2294.96}]
["ε/k ",59.7,231,"K",null,229,"K",null,230.2,"K",null,221,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.9680383184029302},{"$f":"0.809*(B13*1000)^(1/3)","v":3.9680383184029302},"Å",null,4.2080694286205524,null,null,1.8429311096341283]
["ε/k",{"$f":"C187","v":230.08020328754068},{"$f":"B11/1.2593","v":230.08020328754068},"K",null,216.37199444605272,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-83.877297395658061]
[null,378.15,-81.413395274896288]
[null,383.15,-79.025263123222246]
[null,388.15,-76.709525894729111]
[null,393.15,-74.46300517560681]
[null,398.15,-72.282705099256489]
[null,403.15,-70.165799453192434]
[null,408.15,-68.109619861866278]
[null,413.15,-66.111644942243018]
[null,418.15,-64.169490340091173]
["Lennard-Jones Literatur",423.15,-62.280899564754186]
[null,428.15,-60.443735548831491]
[null,433.15,-58.65597286681755]
[null,438.15,-56.915690553523831]
[null,443.15,-55.221065469095912]
[null,448.15,-53.57036616273966]
[null,453.15,-51.961947192025868]
[null,458.15,-50.394243858833811]
[null,463.15,-48.865767326741256]
[null,468.15,-47.375100088047198]
[null,473.15,-45.92089175157848]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":4.2477478367375712}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":3.5737177269514267E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.98131197854666241}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":21.670838783346873}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0007055]
["Dichte bei der Temperatur des Brechungsindex"]
["R0 ",10.1553]
["α0/4πε0",3.9988999999999998E-24]
[" νg",1263000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",1.00369493192463E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",1.00369493192463E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",2.462372241019091E-102]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,6.3522152117139623E-102]

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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:31"]
[]
["Physical Properties for","Oxygen","(ID",47]
[]
["Formula:","O2"]
[]
["Molecular Weight         :",31.998999999999999]
[]
["Critical Temperature     :",154.58000000000001,"K"]
["Critical Pressure        :",50.763800000000003,"bar"]
["Critical Volume          :",7.3400010000000002E-2,"m3/kmol"]
[]
["Melting point            :",54.360010000000003,"K",null,"heat of fusion",null,444,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",90.170010000000005,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",1.9E-2]
["Solubility parameter     :",8181.9,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",6.7999999999999998E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",6.8200659999999997,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",2.871,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.2908]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",4.84]
["API gravity              :",0]
["Specific gravity 60 F    :",1.1274999999999999]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",54.35,"Min value:",40.769889999999997]
["Max T(K):",154.58000000000001,"Max value:",13.732799999999999]
[]
["Coeffs:",3.9142999999999999,0.28771999999999998,154.58000000000001,0.29239999999999999,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",20.65,"Min value:",44.552]
["Max T(K):",20.65,"Max value:",44.552]
[]
["Coeffs:",44.552,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",54.35,"Min value:",146.0215]
["Max T(K):",154.58000000000001,"Max value:",5041629]
[]
["Coeffs:",52.485999999999997,-1213.4000000000001,-6.7061999999999999,2.9763999999999999E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",54.35,"Min value:",7735075]
["Max T(K):",154.58000000000001,"Max value:",52632.78]
[]
["Coeffs:",8040000,-9.8000000000000004E-2,0.59899999999999998,-0.189,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",50,"Min value:",29103]
["Max T(K):",1500,"Max value:",36533.39]
[]
["Coeffs:",29103,10040,2526.5,9356,1153.8]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",54.35,"Min value:",53323.71]
["Max T(K):",105,"Max value:",54647.94]
[]
["Coeffs:",68337,-613.54,7.9279999999999999,-3.168E-2,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",13.46,"Min value:",4761.3389999999999]
["Max T(K):",43.78,"Max value:",46572.61]
[]
["Coeffs:",-13800,1379,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",80,"Min value:",6.0566130000000003E-6]
["Max T(K):",1500,"Max value:",6.3987209999999997E-5]
[]
["Coeffs:",8.0380000000000004E-7,0.60477999999999998,70.3,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",54.36,"Min value:",8.497391E-4]
["Max T(K):",150,"Max value:",5.5730689999999997E-5]
[]
["Coeffs:",-17.27,287.5,1.2290000000000001,-1.04E-22,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",80,"Min value:",6.5744200000000001E-3]
["Max T(K):",1500,"Max value:",0.1012589]
[]
["Coeffs:",4.9430000000000003E-4,0.73399999999999999,70,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",60,"Min value:",0.18520200000000001]
["Max T(K):",154.58000000000001,"Max value:",5.3128910000000001E-2]
[]
["Coeffs:",0.25490000000000002,-1.2685000000000001E-3,3.0620000000000001E-6,-2.1348E-8,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",54.35,"Min value:",2.2500470000000002E-2]
["Max T(K):",154.58000000000001,"Max value:",1.2171300000000001E-10]
[]
["Coeffs:",3.8066000000000003E-2,1.2136,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.699]
[null,780.26]
[null,-4.1760000000000002]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.9950000000000001]
[null,-1.335E-3]
[null,6.1854000000000001E-6]
[null,-3.3820000000000001E-9]
[null,-8.1356000000000002E-13]
[null,7.0822999999999997E-16]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",85.68]
[null,51.5]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-6137]
[null,3.5550000000000002]
[null,-1.67E-2]
[null,11.465999999999999]
[]
["MSRK Parameters"]
["Coefficients:",0.48709999999999998]
[null,7.17E-2]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.4670000000000001,"Å",null,358,"pm",null,348,"pm",null,3.58,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.9350813608915374},null,{"$f":"(D54+D55)/2","v":27.251344999999997},"kmol/m³",{"$f":"G15","v":444},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":6.8200659999999997},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":7264.0659999999998}]
["ε/k ",59.7,106.7,"K",null,118,"K",null,102.6,"K",null,117.5,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.3872498169260252},{"$f":"0.809*(B13*1000)^(1/3)","v":3.3872498169260252},"Å",null,3.5432392428009445,null,null,1.3811652248013933]
["ε/k",{"$f":"C187","v":122.75073453505917},{"$f":"B11/1.2593","v":122.75073453505917},"K",null,111.85694228848196,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-1.0551029117579254]
[null,378.15,-0.43620858526866479]
[null,383.15,0.16420554458310152]
[null,388.15,0.74691786059723941]
[null,393.15,1.3126640753582191]
[null,398.15,1.8621401054160471]
[null,403.15,2.3960047166007552]
[null,408.15,2.9148819614298533]
[null,413.15,3.4193634274167759]
[null,418.15,3.9100103131639057]
[null,423.15,4.387355347408052]
[null,428.15,4.8519045647184678]
[null,433.15,5.3041389501443774]
[null,438.15,5.744515963981371]
[null,443.15,6.1734709566872636]
[null,448.15,6.5914184830875957]
[null,453.15,6.9987535241129804]
[null,458.15,7.3958526235700388]
[null,463.15,7.7830749467519418]
[null,468.15,8.1607632670786714]
[null,473.15,8.5292448066429269]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":1.391031259458543}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.1935804227957125E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.59140979767622603}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.527782854557326}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0002705999999999]
["Dichte bei der Temperatur des Brechungsindex",1.3128415795059827]
["R0 ",3.9649999999999999]
["α0/4πε0",1.561E-24]
[" νg",2022000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",2.4485233513619857E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.4485233513619857E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.7772715680565492E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,7.3614694768129127E-103]

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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:34"]
[]
["Physical Properties for","Nitrogen","(ID",46]
[]
["Formula:","N2"]
[]
["Molecular Weight         :",28.013999999999999]
[]
["Critical Temperature     :",126.2,"K"]
["Critical Pressure        :",33.938800000000001,"bar"]
["Critical Volume          :",8.8599990000000003E-2,"m3/kmol"]
[]
["Melting point            :",63.15,"K",null,"heat of fusion",null,720,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",77.349999999999994,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",4.4999999999999998E-2]
["Solubility parameter     :",9081.9,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",5.4709999999999998E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",5.5773910000000004,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",2.5339999999999998,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.29060000000000002]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",6.415]
["API gravity              :",0]
["Specific gravity 60 F    :",0.80810000000000004]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",63.15,"Min value:",31.047689999999999]
["Max T(K):",126.1,"Max value:",11.19652]
[]
["Coeffs:",3.1724000000000001,0.28478999999999999,126.1,0.29249999999999998,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",20.65,"Min value:",36.62538]
["Max T(K):",20.65,"Max value:",36.62538]
[]
["Coeffs:",37.869999999999997,-6.0271999999999999E-2,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",63.15,"Min value:",12520.58]
["Max T(K):",126.1,"Max value:",3383471]
[]
["Coeffs:",59.826000000000001,-1097.5999999999999,-8.6689000000000007,4.6350000000000002E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",63.15,"Min value:",6059757]
["Max T(K):",126.2,"Max value:",8922.6139999999996]
[]
["Coeffs:",9430000,1.2010000000000001,-1.4811000000000001,0.70850000000000002,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",50,"Min value:",29105]
["Max T(K):",1500,"Max value:",34838.17]
[]
["Coeffs:",29105,8614.9,1701.6,103.47,909.79]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",64,"Min value:",55522.82]
["Max T(K):",120,"Max value:",82505.58]
[]
["Coeffs:",-33400,3507,-46.7,0.2127,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",37,"Min value:",36742.61]
["Max T(K):",63,"Max value:",46917.71]
[]
["Coeffs:",27420,170.1,2.2124999999999999,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",80,"Min value:",5.4407089999999999E-6]
["Max T(K):",1500,"Max value:",5.3916909999999999E-5]
[]
["Coeffs:",7.6319999999999995E-7,0.58823000000000003,67.75,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",63.15,"Min value:",3.031086E-4]
["Max T(K):",125,"Max value:",3.257743E-5]
[]
["Coeffs:",-32.164999999999999,496.9,3.9068999999999998,-1.0800000000000001E-21,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",78,"Min value:",7.3990039999999998E-3]
["Max T(K):",1500,"Max value:",9.2951249999999999E-2]
[]
["Coeffs:",3.5100000000000002E-4,0.76519999999999999,25.766999999999999,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",70,"Min value:",0.1515049]
["Max T(K):",126.1,"Max value:",3.8770779999999998E-2]
[]
["Coeffs:",0.72589999999999999,-1.6729999999999998E-2,1.6210000000000001E-4,-5.7604999999999997E-7,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",63.15,"Min value:",1.22089E-2]
["Max T(K):",126.2,"Max value:",4.665153E-11]
[]
["Coeffs:",2.8979999999999999E-2,1.2457,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.462999999999999]
[null,658.22]
[null,-2.8540000000000001]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",7.44]
[null,-3.2399999999999998E-3]
[null,6.3999999999999997E-6]
[null,-2.7900000000000001E-9]
[null,0]
[null,0]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",90.3]
[null,46.14]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-9248]
[null,2.5999999999999999E-3]
[null,-2.12E-2]
[null,42.71]
[]
["MSRK Parameters"]
["Coefficients:",0.44679999999999997]
[null,0.10929999999999999]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.798,"Å",null,370,"pm",null,373.6,"pm",null,3.698,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.2838800084135276},null,{"$f":"(D54+D55)/2","v":21.122104999999998},"kmol/m³",{"$f":"G15","v":720},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":5.5773910000000004},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":6297.3910000000005}]
["ε/k ",59.7,71.400000000000006,"K",null,95.1,"K",null,82,"K",null,95.05,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.6065593154975017},{"$f":"0.809*(B13*1000)^(1/3)","v":3.6065593154975017},"Å",null,3.7307553980923029,null,null,1.432280262012976]
["ε/k",{"$f":"C187","v":100.21440482807908},{"$f":"B11/1.2593","v":100.21440482807908},"K",null,86.743841200734266,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,10.625569078846048]
[null,378.15,11.144487614703758]
[null,383.15,11.647752516645694]
[null,388.15,12.136017958917389]
[null,393.15,12.609902681159854]
[null,398.15,13.069992343531288]
[null,403.15,13.516841696867981]
[null,408.15,13.950976584611]
[null,413.15,14.372895791484751]
[null,418.15,14.783072752437384]
[null,423.15,15.181957133988204]
[null,428.15,15.569976298954392]
[null,433.15,15.94753666444881]
[null,438.15,16.315024962106502]
[null,443.15,16.672809408641882]
[null,448.15,17.021240794083216]
[null,453.15,17.360653494350768]
[null,458.15,17.691366414237962]
[null,463.15,18.013683866305175]
[null,468.15,18.327896390697894]
[null,473.15,18.634281520475756]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":1.3867770165312374}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.6786579200539871E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.4466282600230479}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.855844001435987}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.000297]
["Dichte bei der Temperatur des Brechungsindex",1.1493466673421233]
["R0 ",4.4020000000000001]
["α0/4πε0"]
[" νg"]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",2.8872923762551989E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.8872923762551989E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",3.5522294507786789E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,1.8717867237253915E-102]

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["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:16:39"]
[]
["Physical Properties for","Fluorine","(ID",208]
[]
["Formula:","F2"]
[]
["Molecular Weight         :",37.997]
[]
["Critical Temperature     :",144.31,"K"]
["Critical Pressure        :",52.152000000000001,"bar"]
["Critical Volume          :",6.6199999999999995E-2,"m3/kmol"]
[]
["Melting point            :",53.53,"K",null,"heat of fusion",null,510.36599999999999,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",84.95,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",5.8799999999999998E-2]
["Solubility parameter     :",15184,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",9.0809999999999995E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",6.5271800000000004,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",3.3698999999999999,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.28799999999999998]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.97421190000000002]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",53.48,"Min value:",45.004309999999997]
["Max T(K):",144.31,"Max value:",15.025600000000001]
[]
["Coeffs:",4.2850000000000001,0.28517999999999999,144.31,0.28999999999999998,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",23,"Min value:",51.845889999999997]
["Max T(K):",53.48,"Max value:",50.187899999999999]
[]
["Coeffs:",53.097000000000001,-5.4396E-2,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",53.48,"Min value:",245.1523]
["Max T(K):",144.31,"Max value:",5228839]
[]
["Coeffs:",67.387,-1317.1,-10.015000000000001,4.8533E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",53.48,"Min value:",7639706]
["Max T(K):",144.31,"Max value:",18327.84]
[]
["Coeffs:",10549000,1.0868,-1.2636000000000001,0.57110000000000005,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",29125.85]
["Max T(K):",1500,"Max value:",37815.300000000003]
[]
["Coeffs:",29123,9591.7999999999993,1419.2,9363,663.3]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",53.48,"Min value:",57487.839999999997]
["Max T(K):",120,"Max value:",70588]
[]
["Coeffs:",82060,-752,5.47,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",15,"Min value:",7287.5]
["Max T(K):",53.48,"Max value:",53899.4]
[]
["Coeffs:",-10000,1136,1.1000000000000001,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",90,"Min value:",7.4856E-6]
["Max T(K):",500,"Max value:",3.5040979999999997E-5]
[]
["Coeffs:",6.3600000000000003E-7,0.66379999999999995,61.6,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",69.19,"Min value:",4.0795810000000002E-4]
["Max T(K):",140,"Max value:",5.9538650000000003E-5]
[]
["Coeffs:",8.18,-75.599999999999994,-3.5148000000000001,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",70,"Min value:",6.276312E-3]
["Max T(K):",700,"Max value:",5.5692749999999999E-2]
[]
["Coeffs:",1.8E-3,0.5706,261,-7300,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",53.48,"Min value:",0.18864359999999999]
["Max T(K):",130,"Max value:",6.3938999999999996E-2]
[]
["Coeffs:",0.27579999999999999,-1.6297E-3,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",53.48,"Min value:",2.2691599999999999E-2]
["Max T(K):",144.31,"Max value:",1.03823E-10]
[]
["Coeffs:",4.0039999999999999E-2,1.2265999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.67]
[null,714.1]
[null,-6]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.8926699999999999]
[null,-1.4469999999999999E-3]
[null,1.9330600000000001E-5]
[null,-3.2032699999999997E-8]
[null,2.0997200000000001E-11]
[null,-4.9241999999999998E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",84.2]
[null,52.52]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.3570000000000002,"Å",null,null,"pm",null,343.9,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.8103990884563137},null,{"$f":"(D54+D55)/2","v":30.014955},"kmol/m³",{"$f":"G15","v":510.36599999999999},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":6.5271800000000004},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":7037.5460000000003}]
["ε/k ",59.7,112.6,"K",null,null,"K",null,152.1,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.2726622335904261},{"$f":"0.809*(B13*1000)^(1/3)","v":3.2726622335904261},"Å",null,3.4477055912984529,null,null,1.3537387275448869]
["ε/k",{"$f":"C187","v":114.59541014849519},{"$f":"B11/1.2593","v":114.59541014849519},"K",null,99.135649509647692,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,3.8572612472377386]
[null,378.15,4.3448817907251254]
[null,383.15,4.817894343944646]
[null,388.15,5.2769113862616273]
[null,393.15,5.722512034073497]
[null,398.15,6.1552442725400409]
[null,403.15,6.5756270108670547]
[null,408.15,6.984151977190959]
[null,413.15,7.3812854674639157]
[null,418.15,7.7674699612886009]
[null,423.15,8.1431256163455217]
[null,428.15,8.5086516519223068]
[null,433.15,8.8644276310065138]
[null,438.15,9.2108146495152408]
[null,443.15,9.548156440400998]
[null,448.15,9.8767803996499079]
[null,453.15,10.196998540541729]
[null,458.15,10.509108381943557]
[null,463.15,10.813393775894001]
[null,468.15,11.110125679257138]
[null,473.15,11.399562873802063]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":1.1800659885300975}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":1.9933329308534947E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.55507879714888764}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.638805903716541}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0002059999999999]
["Dichte bei der Temperatur des Brechungsindex",1.5589250131719372]
["R0 "]
["α0/4πε0"]
[" νg"]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion"]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6"]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.2737897782689619E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,1.659214479720227E-102]

{"sheet":"Cl2","index":9,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:18:54"]
[]
["Physical Properties for","Chlorine","(ID",105]
[]
["Formula:","Cl2"]
[]
["Molecular Weight         :",70.906000000000006]
[]
["Critical Temperature     :",417.15,"K"]
["Critical Pressure        :",77.110339999999994,"bar"]
["Critical Volume          :",0.1237,"m3/kmol"]
[]
["Melting point            :",172.12,"K",null,"heat of fusion",null,6406,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",239.12,"K"]
["IG heat of formation     :",0,"kJ/gmol"]
["IG Gibbs of formation    :",0,"kJ/gmol"]
["Acentric factor          :",6.9000000000000006E-2]
["Solubility parameter     :",20148,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",6.7000000000000001E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",20.418399999999998,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",6.1188000000000002,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",1.4297120000000001]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",2]
["Electrolyte charge       :",0]
["Std heat of formation    :",-23.43036,"kJ/gmol"]
["Std Gibbs of formation   :",6.9035950000000001,"kJ/gmol"]
["Standard entropy         :",1.7112240000000001,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",172.12,"Min value:",24.298819999999999]
["Max T(K):",417.15,"Max value:",7.9824270000000004]
[]
["Coeffs:",2.1804000000000001,0.27315,417.15,0.2883,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",113.15,"Min value:",29.475999999999999]
["Max T(K):",113.15,"Max value:",29.475999999999999]
[]
["Coeffs:",29.475999999999999,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",172.12,"Min value:",1365.664]
["Max T(K):",417.15,"Max value:",7791090]
[]
["Coeffs:",71.358999999999995,-3855.6,-8.5215999999999994,1.2385999999999999E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",172.12,"Min value:",22888060]
["Max T(K):",417.15,"Max value:",56267.58]
[]
["Coeffs:",28560000,0.51900000000000002,-0.33150000000000002,0.19900000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",50,"Min value:",29142.12]
["Max T(K):",1500,"Max value:",37929.69]
[]
["Coeffs:",29142,9176,949,10030,425]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",172.12,"Min value:",67105.58]
["Max T(K):",239.12,"Max value:",65739.16]
[]
["Coeffs:",63936,46.35,-0.1623,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",19.809999999999999,"Min value:",7148.0770000000002]
["Max T(K):",164.99,"Max value:",55093.62]
[]
["Coeffs:",-22200,1876,-22.305,0.12570000000000001,-2.5587E-4]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",200,"Min value:",8.9002990000000008E-6]
["Max T(K):",1000,"Max value:",3.9916490000000002E-5]
[]
["Coeffs:",2.6E-7,0.74229999999999996,98.3,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",190,"Min value:",7.9726829999999995E-4]
["Max T(K):",300,"Max value:",3.0389749999999997E-4]
[]
["Coeffs:",-25.681999999999999,974.9,2.5575000000000001,-4.2999999999999999E-26,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",200,"Min value:",5.5109670000000003E-3]
["Max T(K):",1000,"Max value:",3.0016480000000002E-2]
[]
["Coeffs:",9.9930000000000006E-4,0.54720000000000002,458.6,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",172.12,"Min value:",0.19023960000000001]
["Max T(K):",410,"Max value:",6.5897200000000003E-2]
[]
["Coeffs:",0.22459999999999999,-6.3999999999999997E-5,-7.8800000000000002E-7,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",172.12,"Min value:",3.7929360000000002E-2]
["Max T(K):",417.15,"Max value:",1.7166799999999999E-9]
[]
["Coeffs:",6.7559999999999995E-2,1.085,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",16.152000000000001]
[null,2055.1]
[null,-23.312000000000001]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.56081]
[null,5.6746599999999998E-3]
[null,-6.7551799999999997E-8]
[null,-1.0414900000000001E-8]
[null,9.9998200000000005E-12]
[null,-2.8130700000000002E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",191.96]
[null,172.35]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-34068]
[null,-86.998999999999995]
[null,5.6561E-2]
[null,589.03]
[]
["MSRK Parameters"]
["Coefficients:",0.4597]
[null,0.15429999999999999]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,4.2169999999999996,"Å",null,null,"pm",null,424,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.6857192204910429},null,{"$f":"(D54+D55)/2","v":16.1406235},"kmol/m³",{"$f":"G15","v":6406},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":20.418399999999998},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":26824.399999999998}]
["ε/k ",59.7,316,"K",null,null,"K",null,307.2,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":4.0309284385910731},{"$f":"0.809*(B13*1000)^(1/3)","v":4.0309284385910731},"Å",null,4.6088015373147293,null,null,2.0772195429356994]
["ε/k",{"$f":"C187","v":331.25545938219642},{"$f":"B11/1.2593","v":331.25545938219642},"K",null,282.63376334565692,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-189.62434430271404]
[null,378.15,-184.91224446840343]
[null,383.15,-180.35045493141459]
[null,388.15,-175.93199789468503]
[null,393.15,-171.65031906005115]
[null,398.15,-167.49925607104643]
[null,403.15,-163.47300972884639]
[null,408.15,-159.566117701835]
[null,413.15,-155.77343048096952]
[null,418.15,-152.09008936077294]
[null,423.15,-148.51150625009532]
[null,428.15,-145.03334513803892]
[null,433.15,-141.65150505923967]
[null,438.15,-138.36210441914633]
[null,443.15,-135.16146655455793]
[null,448.15,-132.04610641756045]
[null,453.15,-129.01271828236412]
[null,458.15,-126.05816438473492]
[null,463.15,-123.17946441263858]
[null,468.15,-120.37378577475727]
[null,473.15,-117.63843458062463]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":6.6689319501965132}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":3.8970323663819702E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.2188689073666346}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":17.958161537899546}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0007729999999999]
["Dichte bei der Temperatur des Brechungsindex",2.9091016918169701]
["R0 ",11.43]
["α0/4πε0",4.4999999999999997E-24]
[" νg",1191000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",1.1985442752012187E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",1.1985442752012187E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",5.5191674266730953E-102]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,3.3943087764063363E-101]

{"sheet":"Br2","index":10,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:18:58"]
[]
["Physical Properties for","Bromine","(ID",99]
[]
["Formula:","Br2"]
[]
["Molecular Weight         :",159.81]
[]
["Critical Temperature     :",584.15,"K"]
["Critical Pressure        :",103.351,"bar"]
["Critical Volume          :",0.13500000000000001,"m3/kmol"]
[]
["Melting point            :",265.89999999999998,"K",null,"heat of fusion",null,10570,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",331.9,"K"]
["IG heat of formation     :",30.907,"kJ/gmol"]
["IG Gibbs of formation    :",3.1337999999999999,"kJ/gmol"]
["Acentric factor          :",0.11890000000000001]
["Solubility parameter     :",23660,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",9.6899999999999996E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",30.167280000000002,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",7.1056999999999997,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",3.1448070000000001]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",265.85000000000002,"Min value:",20.109010000000001]
["Max T(K):",584.15,"Max value:",7.4471679999999996]
[]
["Coeffs:",2.1871999999999998,0.29526999999999998,584.15,0.32950000000000002,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",79.150000000000006,"Min value:",25.7]
["Max T(K):",79.150000000000006,"Max value:",25.7]
[]
["Coeffs:",25.7,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",265.85000000000002,"Min value:",5848.2709999999997]
["Max T(K):",584.15,"Max value:",10297580]
[]
["Coeffs:",59.51,-5259,-5.6144999999999996,4.1188999999999996E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",265.85000000000002,"Min value:",32483900]
["Max T(K):",584.15,"Max value:",69152.289999999994]
[]
["Coeffs:",42180000,0.60899999999999999,-0.54469999999999996,0.33360000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",30900.6]
["Max T(K):",1500,"Max value:",37938.35]
[]
["Coeffs:",30113,8009,751.4,10780,314.60000000000002]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",265.89999999999998,"Min value:",77547.27]
["Max T(K):",305.37,"Max value:",75405.98]
[]
["Coeffs:",37570,328.5,-0.67,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",15,"Min value:",8199.9159999999993]
["Max T(K):",265.85000000000002,"Max value:",60988.58]
[]
["Coeffs:",-9200,1330,-12.05,4.8800000000000003E-2,-6.9800000000000003E-5]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",265.85000000000002,"Min value:",1.394142E-5]
["Max T(K):",600,"Max value:",2.9993610000000001E-5]
[]
["Coeffs:",3.0838000000000001E-8,1.0641,-42.25,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",265.85000000000002,"Min value:",1.352865E-3]
["Max T(K):",350,"Max value:",6.0212660000000002E-4]
[]
["Coeffs:",16.774999999999999,-314,-3.9763000000000002,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",300,"Min value:",4.7704619999999996E-3]
["Max T(K):",500,"Max value:",9.8679739999999998E-3]
[]
["Coeffs:",-0.2006,-0.56420000000000003,-805.01,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",266,"Min value:",0.12992919999999999]
["Max T(K):",584,"Max value:",3.1581770000000002E-2]
[]
["Coeffs:",-0.2185,4.2142999999999998E-3,-1.7753000000000001E-5,3.1041E-8,-2.0108000000000001E-11]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",265.85000000000002,"Min value:",4.6377429999999997E-2]
["Max T(K):",584.15,"Max value:",6.8978259999999997E-10]
[]
["Coeffs:",9.3909999999999993E-2,1.1619999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",16.795999999999999]
[null,3090.9]
[null,-27.972999999999999]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.0417699999999996]
[null,1.7563200000000001E-2]
[null,-4.2634099999999999E-5]
[null,5.0359500000000002E-8]
[null,-2.8441E-11]
[null,6.1435399999999996E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",387.82]
[null,292.79000000000002]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-11570]
[null,-8.8000000000000003E-4]
[null,-1.4500000000000001E-2]
[null,36.39]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,4.2960000000000003,"Å",null,null,"pm",null,426.6,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.9395422165385883},null,{"$f":"(D54+D55)/2","v":13.778089000000001},"kmol/m³",{"$f":"G15","v":10570},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":30.167280000000002},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":40737.279999999999}]
["ε/k ",59.7,507.9,"K",null,null,"K",null,437.3,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität berechnet in Tabelle Viskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":4.150111622584344},{"$f":"0.809*(B13*1000)^(1/3)","v":4.150111622584344},"Å",null,4.2920834721338927,null,null,2.3738899587161577]
["ε/k",{"$f":"C187","v":463.86881600889376},{"$f":"B11/1.2593","v":463.86881600889376},"K",null,460.68813456021496,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-364.01589540740878]
[null,378.15,-355.73921624964055]
[null,383.15,-347.75889936995816]
[null,388.15,-340.05951964478282]
[null,393.15,-332.62669446906023]
[null,398.15,-325.44699786982511]
[null,403.15,-318.50788290802166]
[null,408.15,-311.7976114567619]
[null,413.15,-305.30519055640787]
[null,418.15,-299.02031464371072]
[null,423.15,-292.93331303629458]
[null,428.15,-287.03510212664116]
[null,433.15,-281.31714180324047]
[null,438.15,-275.7713956718307]
[null,443.15,-270.39029469801642]
[null,448.15,-265.16670393483241]
[null,453.15,-260.09389203587597]
[null,458.15,-255.16550328721834]
[null,463.15,-250.3755319199621]
[null,468.15,-245.71829849055018]
[null,473.15,-241.18842813823468]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":9.7570490230395137}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":4.0715903917808882E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.4327307862873497}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":12.396423414569627}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0011319999999999]
["Dichte bei der Temperatur des Brechungsindex",6.5566177949576891]
["R0 ",16.329999999999998]
["α0/4πε0",6.4299999999999998E-24]
[" νg",996000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",2.0464379318531703E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.0464379318531703E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.1083904089867282E-101]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,9.2052498328946851E-102]

{"sheet":"CO","index":11,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:19:01"]
[]
["Physical Properties for","Carbon Monoxide","(ID",48]
[]
["Formula:","CO"]
[]
["Molecular Weight         :",28.01]
[]
["Critical Temperature     :",132.94999999999999,"K"]
["Critical Pressure        :",34.987520000000004,"bar"]
["Critical Volume          :",9.3100000000000002E-2,"m3/kmol"]
[]
["Melting point            :",68.150000000000006,"K",null,"heat of fusion",null,840.98699999999997,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",81.7,"K"]
["IG heat of formation     :",-110.53,"kJ/gmol"]
["IG Gibbs of formation    :",-137.16,"kJ/gmol"]
["Acentric factor          :",9.2999999999999999E-2]
["Solubility parameter     :",6402.4,"(J/m3)**0.5"]
["Dipole moment            :",3.7359000000000001E-31,"C.m"]
["Radius of Gyration       :",5.5820000000000001E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",6.0418250000000002,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",2.5840000000000001,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.2918]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.80079999999999996]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",68.150000000000006,"Min value:",30.211220000000001]
["Max T(K):",132.91999999999999,"Max value:",10.64545]
[]
["Coeffs:",2.944,0.27655000000000002,132.91999999999999,0.29053000000000001,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",68.150000000000006,"Min value:",35.35]
["Max T(K):",68.150000000000006,"Max value:",35.35]
[]
["Coeffs:",35.35,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",68.150000000000006,"Min value:",15206.56]
["Max T(K):",132.91999999999999,"Max value:",3469656]
[]
["Coeffs:",124.2,-1815,-22.734000000000002,0.11795,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",68.150000000000006,"Min value:",6367967]
["Max T(K):",132.94999999999999,"Max value:",55855.28]
[]
["Coeffs:",8003000,0.318,0,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",60,"Min value:",29108]
["Max T(K):",1500,"Max value:",35207.71]
[]
["Coeffs:",29108,8773,3085.1,8455.2999999999993,1538.2]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",68.150000000000006,"Min value:",59937.760000000002]
["Max T(K):",90,"Max value:",61476]
[]
["Coeffs:",55140,70.400000000000006,0,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",8,"Min value:",1772.152]
["Max T(K):",62,"Max value:",64105.22]
[]
["Coeffs:",1400,-669,109.4,-2.6680000000000001,2.1623E-2]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",68.150000000000006,"Min value:",4.4336390000000002E-6]
["Max T(K):",1250,"Max value:",4.6536450000000001E-5]
[]
["Coeffs:",1.1127E-6,0.53380000000000005,94.7,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",68.55,"Min value:",2.6488290000000001E-4]
["Max T(K):",131.37,"Max value:",6.5152919999999999E-5]
[]
["Coeffs:",-4.9734999999999996,97.67,-1.1088,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",70,"Min value:",5.7295380000000002E-3]
["Max T(K):",1250,"Max value:",7.5798210000000005E-2]
[]
["Coeffs:",8.3900000000000001E-4,0.64090000000000003,86.05,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",70,"Min value:",0.16062000000000001]
["Max T(K):",125,"Max value:",6.2499989999999998E-2]
[]
["Coeffs:",0.28549999999999998,-1.784E-3,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",68.150000000000006,"Min value:",1.238504E-2]
["Max T(K):",132.94999999999999,"Max value:",5.8110140000000002E-10]
[]
["Coeffs:",2.7959000000000001E-2,1.133,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.887]
[null,769.93]
[null,1.637]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.9920799999999996]
[null,-3.6968299999999999E-4]
[null,-3.6983200000000003E-7]
[null,5.8213999999999998E-9]
[null,-5.76133E-12]
[null,1.6252000000000001E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",94.06]
[null,48.9]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-7387]
[null,8.0999999999999996E-4]
[null,-1.5800000000000002E-2]
[null,35.99]
[]
["MSRK Parameters"]
["Coefficients:",0]
[null,0]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.69,"Å",null,376,"pm",null,369.8,"pm",null,3.7629999999999999,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.3318363345909843},null,{"$f":"(D54+D55)/2","v":20.428335000000001},"kmol/m³",{"$f":"G15","v":840.98699999999997},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":6.0418250000000002},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":6882.8119999999999}]
["ε/k ",59.7,91.7,"K",null,100,"K",null,104.5,"K",null,100.2,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.6666130678733451},{"$f":"0.809*(B13*1000)^(1/3)","v":3.6666130678733451},"Å",null,3.8122063457474389,null,null,1.4352136540904408]
["ε/k",{"$f":"C187","v":105.57452553005636},{"$f":"B11/1.2593","v":105.57452553005636},"K",null,86.467690879636663,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,11.470330185080471]
[null,378.15,12.021665940692358]
[null,383.15,12.556366673555534]
[null,388.15,13.075127531965693]
[null,393.15,13.578606014575318]
[null,398.15,14.067424472384198]
[null,403.15,14.542172414276322]
[null,408.15,15.003408633836928]
[null,413.15,15.45166317340278]
[null,418.15,15.88743913965552]
[null,423.15,16.311214383695276]
[null,428.15,16.723443057215878]
[null,433.15,17.124557055311431]
[null,438.15,17.514967355416442]
[null,443.15,17.895065260984893]
[null,448.15,18.265223557721722]
[null,453.15,18.625797589435628]
[null,458.15,18.977126259957828]
[null,463.15,19.319532966971984]
[null,468.15,19.653326473092648]
[null,473.15,19.978801719041343]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":1.4929591736822767}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.7373451758349227E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.47510313486794981}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":24.784010787963012}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.000332]
["Dichte bei der Temperatur des Brechungsindex",1.1491825570162373]
["R0 ",4.8899999999999997]
["α0/4πε0",1.9260000000000001E-24]
[" νg",1820000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung",2.5483227303914416E-63]
["ϕInduktion",5.3762166816120004E-72]
["ϕDispersion",3.3550673787187008E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",3.3553222109922775E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",3.2272232046837714E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,4.3029706517513063E-102]

{"sheet":"CO2","index":12,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:19:05"]
[]
["Physical Properties for","Carbon Dioxide","(ID",49]
[]
["Formula:","CO2"]
[]
["Molecular Weight         :",44.01]
[]
["Critical Temperature     :",304.2,"K"]
["Critical Pressure        :",73.815250000000006,"bar"]
["Critical Volume          :",9.2863000000000001E-2,"m3/kmol"]
[]
["Melting point            :",216.58,"K",null,"heat of fusion",null,9019.0400000000009,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",194.67,"K"]
["IG heat of formation     :",-393.52,"kJ/gmol"]
["IG Gibbs of formation    :",-394.41,"kJ/gmol"]
["Acentric factor          :",0.23100000000000001]
["Solubility parameter     :",14564,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",1.04E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",17.154769999999999,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",6.3650000000000002,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.27450000000000002]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.82699999999999996]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",-413.79759999999999,"kJ/gmol"]
["Std Gibbs of formation   :",-386.01580000000001,"kJ/gmol"]
["Standard entropy         :",2.6714479999999998,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",216.58,"Min value:",26.82564]
["Max T(K):",304.19,"Max value:",10.624230000000001]
[]
["Coeffs:",2.7570000000000001,0.2616,304.19,0.2903,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",143.1,"Min value:",36.899929999999998]
["Max T(K):",216.58,"Max value:",34.403010000000002]
[]
["Coeffs:",32.939,6.8419999999999995E-2,-2.8469999999999998E-4,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",216.58,"Min value:",513510.8]
["Max T(K):",304.19,"Max value:",7361698]
[]
["Coeffs:",85.53,-3481.3,-11.336,2.1505E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",216.58,"Min value:",15299670]
["Max T(K):",304.2,"Max value:",59629.79]
[]
["Coeffs:",18260000,0.21460000000000001,-0.65900000000000003,0.78259999999999996,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",50,"Min value:",29370]
["Max T(K):",5000,"Max value:",63346.11]
[]
["Coeffs:",29370,34540,-1428,26400,588]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",220,"Min value:",78265.77]
["Max T(K):",290,"Max value:",166030.79999999999]
[]
["Coeffs:",-8304300,104370,-433.33,0.60052000000000005,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",15,"Min value:",1390.192]
["Max T(K):",210,"Max value:",59446.46]
[]
["Coeffs:",-14370,1188,-9.7100000000000009,3.7769999999999998E-2,-5.0000000000000002E-5]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",194.67,"Min value:",9.7491040000000005E-6]
["Max T(K):",1500,"Max value:",5.2032479999999999E-5]
[]
["Coeffs:",2.148E-6,0.46,290,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",219.25,"Min value:",2.3975360000000001E-4]
["Max T(K):",304.19,"Max value:",5.4689950000000003E-5]
[]
["Coeffs:",18.774999999999999,-402.9,-4.6853999999999996,-6.9999999999999997E-26,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",194.67,"Min value:",8.8668440000000005E-3]
["Max T(K):",1500,"Max value:",9.0253249999999993E-2]
[]
["Coeffs:",3.69,-0.38379999999999997,964,1860000,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",250,"Min value:",0.133765]
["Max T(K):",300,"Max value:",7.4120000000000005E-2]
[]
["Coeffs:",0.43198999999999999,-1.1929E-3,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",216.58,"Min value:",1.6630590000000001E-2]
["Max T(K):",304.2,"Max value:",4.2504310000000002E-11]
[]
["Coeffs:",7.9969999999999999E-2,1.2617,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",22.59]
[null,3103.4]
[null,-0.16]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.2617700000000003]
[null,1.1320800000000001E-2]
[null,-6.1726099999999998E-6]
[null,1.70939E-9]
[null,-2.3471299999999998E-13]
[null,1.26733E-17]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",578.08000000000004]
[null,185.24]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-1392]
[null,0.121]
[null,1.4789999999999999E-2]
[null,3.984]
[]
["MSRK Parameters"]
["Coefficients:",0.58089999999999997]
[null,0.2727]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.9409999999999998,"Å",null,449,"pm",null,394.3,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.4593982306376336},null,{"$f":"(D54+D55)/2","v":18.724935000000002},"kmol/m³",{"$f":"G15","v":9019.0400000000009},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":17.154769999999999},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":26173.81}]
["ε/k ",59.7,195.2,"K",null,189,"K",null,200.9,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.6634991197142992},{"$f":"0.809*(B13*1000)^(1/3)","v":3.6634991197142992},"Å",null,4.6694889353840594,null,null,1.7461652631089792]
["ε/k",{"$f":"C187","v":241.5627729691098},{"$f":"B11/1.2593","v":241.5627729691098},"K",null,176.2609368528496,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-68.891138869191764]
[null,378.15,-66.333670579406032]
[null,383.15,-63.853458678417233]
[null,388.15,-61.447142937790801]
[null,393.15,-59.111551734660978]
[null,398.15,-56.843694973364066]
[null,403.15,-54.640745422987955]
[null,408.15,-52.500030778402717]
[null,413.15,-50.419022571795502]
[null,418.15,-48.395326665084013]
[null,423.15,-46.426674465619193]
[null,428.15,-44.5109148214977]
[null,433.15,-42.64600653597509]
[null,438.15,-40.83001144655146]
[null,443.15,-39.061088019690466]
[null,448.15,-37.337485416937042]
[null,453.15,-35.657537992481998]
[null,458.15,-34.019660186049052]
[null,463.15,-32.422341778379483]
[null,468.15,-30.864143479656505]
[null,473.15,-29.343692823954012]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":3.7047314535484968}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.9687081015974E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.012837646513244}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":21.891054515620205}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0005580000000001]
["Dichte bei der Temperatur des Brechungsindex",1.8056238605599642]
["R0 ",6.5949999999999998]
["α0/4πε0",2.594E-24]
[" νg",1567000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",5.2399390187359305E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",5.2399390187359305E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.5132138434353065E-102]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,3.7303720920277459E-102]

{"sheet":"Methan","index":13,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:21:15"]
[]
["Physical Properties for","Methane","(ID",2]
[]
["Formula:","CH4"]
[]
["Molecular Weight         :",16.042999999999999]
[]
["Critical Temperature     :",190.63,"K"]
["Critical Pressure        :",46.001539999999999,"bar"]
["Critical Volume          :",9.9418000000000006E-2,"m3/kmol"]
[]
["Melting point            :",90.669989999999999,"K",null,"heat of fusion",null,941.4,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",111.66,"K"]
["IG heat of formation     :",-74.849999999999994,"kJ/gmol"]
["IG Gibbs of formation    :",-50.82,"kJ/gmol"]
["Acentric factor          :",0.01]
["Solubility parameter     :",11618,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",1.118E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",8.1798950000000001,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",5,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.28760000000000002]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",19.54]
["API gravity              :",340]
["Specific gravity 60 F    :",0.3]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",90.67,"Min value:",28.23075]
["Max T(K):",190.58,"Max value:",9.9722310000000007]
[]
["Coeffs:",2.8730000000000002,0.28810000000000002,190.58,0.27700000000000002,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",23.15,"Min value:",32.571539999999999]
["Max T(K):",90.67,"Max value:",30.308800000000002]
[]
["Coeffs:",33.021999999999998,-1.5869999999999999E-2,-1.55E-4,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",90.67,"Min value:",11732.83]
["Max T(K):",190.58,"Max value:",4592587]
[]
["Coeffs:",38.664000000000001,-1314.7,-3.3372999999999999,3.0159999999999999E-5,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",90.67,"Min value:",8719469]
["Max T(K):",190.63,"Max value:",24143.74]
[]
["Coeffs:",10325000,0.31380000000000002,-0.23180000000000001,0.25750000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",50,"Min value:",33295]
["Max T(K):",1500,"Max value:",88940.79]
[]
["Coeffs:",33295,80295,2101.8000000000002,42130,995.1]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",90.67,"Min value:",53335.7]
["Max T(K):",180,"Max value:",91931.85]
[]
["Coeffs:",607140,-18946,238.42,-1.3112999999999999,2.6841999999999999E-3]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",21,"Min value:",18207.990000000002]
["Max T(K):",90,"Max value:",43600.92]
[]
["Coeffs:",-1866,1212.3,-13.534000000000001,6.3079999999999997E-2,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",90.67,"Min value:",3.7966810000000001E-6]
["Max T(K):",850,"Max value:",2.4280190000000001E-5]
[]
["Coeffs:",1.323E-5,0.17979999999999999,718,-8900,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",90.67,"Min value:",2.0438779999999999E-4]
["Max T(K):",190,"Max value:",2.0398020000000002E-5]
[]
["Coeffs:",-1.722,84.5,-1.7095,-9.0200000000000002E-24,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",96.999989999999997,"Min value:",1.099906E-2]
["Max T(K):",1400,"Max value:",0.24916199999999999]
[]
["Coeffs:",1.2260000000000001E-3,0.80310000000000004,960,-61200,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",90.67,"Min value:",0.2240489]
["Max T(K):",190.58,"Max value:",7.9869399999999993E-2]
[]
["Coeffs:",0.4194,-2.493E-3,3.7330000000000001E-6,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",90.67,"Min value:",1.7632539999999999E-2]
["Max T(K):",190.63,"Max value:",1.2291379999999999E-10]
[]
["Coeffs:",3.5684E-2,1.0920000000000001,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.599]
[null,968.13]
[null,-3.72]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",8.6210299999999993]
[null,-1.35651E-2]
[null,6.2374399999999997E-5]
[null,-6.3791700000000003E-8]
[null,2.8704600000000001E-11]
[null,-4.9202900000000001E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",114.14]
[null,57.6]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-20994]
[null,-41.094999999999999]
[null,1.384E-2]
[null,303.29000000000002]
[]
["MSRK Parameters"]
["Coefficients:",0.46310000000000001]
[null,6.9800000000000001E-2]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.758,"Å",null,378,"pm",null,379,"pm",null,3.8170000000000002,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.4299002234391196},null,{"$f":"(D54+D55)/2","v":19.101490500000001},"kmol/m³",{"$f":"G15","v":941.4},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":8.1798950000000001},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":9121.2950000000001}]
["ε/k ",59.7,148.6,"K",null,149,"K",null,142.1,"K",null,148.19999999999999,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.7477464000200915},{"$f":"0.809*(B13*1000)^(1/3)","v":3.7477464000200915},"Å",null,3.9823261373007646,null,null,1.5728406812260958]
["ε/k",{"$f":"C187","v":151.3777495433971},{"$f":"B11/1.2593","v":151.3777495433971},"K",null,139.31591412403048,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-18.397101345271313]
[null,378.15,-17.230278430637924]
[null,383.15,-16.098329109132948]
[null,388.15,-14.999766118109378]
[null,393.15,-13.93318495365097]
[null,398.15,-12.89725820810809]
[null,403.15,-11.890730365707794]
[null,408.15,-10.91241301361041]
[null,413.15,-9.961180430246845]
[null,418.15,-9.0359655167576758]
[null,423.15,-8.135756040804754]
[null,428.15,-7.2595911651637177]
[null,433.15,-6.4065582362317066]
[null,438.15,-5.5757898100517105]
[null,443.15,-4.7664608956221821]
[null,448.15,-3.9777863972000653]
[null,453.15,-3.2090187390686506]
[null,458.15,-2.4594456577528563]
[null,463.15,-1.7283881480989867]
[null,468.15,-1.01519855085181]
[null,473.15,-0.31925877049810658]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":2.3345035193937789}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.9851988107470352E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.70749401729046646}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":23.935732053190545}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.000454]
["Dichte bei der Temperatur des Brechungsindex",0.65820548954700075]
["R0 ",6.8550000000000004]
["α0/4πε0",2.6989999999999999E-24]
[" νg",1538000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",5.5677457797216829E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",5.5677457797216829E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",6.5109354930445676E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,6.1107659040050524E-102]

{"sheet":"Ethan","index":14,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:22:05"]
[]
["Physical Properties for","Ethane","(ID",3]
[]
["Formula:","C2H6"]
[]
["Molecular Weight         :",30.07]
[]
["Critical Temperature     :",305.43,"K"]
["Critical Pressure        :",48.838639999999998,"bar"]
["Critical Volume          :",0.1467,"m3/kmol"]
[]
["Melting point            :",90.350009999999997,"K",null,"heat of fusion",null,2859,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",184.55,"K"]
["IG heat of formation     :",-83.850009999999997,"kJ/gmol"]
["IG Gibbs of formation    :",-31.95,"kJ/gmol"]
["Acentric factor          :",9.9000000000000005E-2]
["Solubility parameter     :",12375,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",1.8259999999999999E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",14.70707,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",7.88,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0.106]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.27929999999999999]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",18.38]
["API gravity              :",265.5]
["Specific gravity 60 F    :",0.35639999999999999]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",90.349990000000005,"Min value:",21.62049]
["Max T(K):",305.42,"Max value:",6.7646170000000003]
[]
["Coeffs:",1.8257000000000001,0.27329999999999999,305.42,0.2833,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",23.15,"Min value:",25.009509999999999]
["Max T(K):",90.349990000000005,"Max value:",24.273669999999999]
[]
["Coeffs:",25.263000000000002,-1.095E-2,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",90.349990000000005,"Min value:",1.1305339999999999]
["Max T(K):",305.42,"Max value:",4870932]
[]
["Coeffs:",52.55,-2611.4,-5.2514000000000003,1.5500000000000001E-5,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",90.349990000000005,"Min value:",17853090]
["Max T(K):",305.43,"Max value:",46324.25]
[]
["Coeffs:",20903000,0.57199999999999995,-0.50609999999999999,0.31330000000000002,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",35694.75]
["Max T(K):",1500,"Max value:",145133.1]
[]
["Coeffs:",35650,135200,1430,61800,612]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",90.349990000000005,"Min value:",69040.3]
["Max T(K):",290,"Max value:",123464.3]
[]
["Coeffs:",183100,-3083,29.608000000000001,-0.12132999999999999,1.8430000000000001E-4]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",10,"Min value:",1457.45]
["Max T(K):",80,"Max value:",58445.5]
[]
["Coeffs:",7343.1,-1362.5,91.543999999999997,-1.4984,8.3350000000000004E-3]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",150,"Min value:",4.9566530000000001E-6]
["Max T(K):",1000,"Max value:",2.641494E-5]
[]
["Coeffs:",7.8169999999999999E-6,0.27300000000000002,981,-30300,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",98.15,"Min value:",9.5734719999999995E-4]
["Max T(K):",293.14999999999998,"Max value:",4.4297569999999999E-5]
[]
["Coeffs:",-7.7480000000000002,303.5,-0.50049999999999994,-1E-25,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",225,"Min value:",1.344703E-2]
["Max T(K):",825,"Max value:",0.10675999999999999]
[]
["Coeffs:",8.218,-0.70120000000000005,-1418.9,962300,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",215,"Min value:",0.14033499999999999]
["Max T(K):",300,"Max value:",7.480001E-2]
[]
["Coeffs:",0.30609999999999998,-7.7099999999999998E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",90.349990000000005,"Min value:",3.2084130000000002E-2]
["Max T(K):",305.43,"Max value:",1.7561190000000001E-10]
[]
["Coeffs:",4.8984E-2,1.2064999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.895]
[null,1582.2]
[null,-13.762]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",7.7599900000000002]
[null,-3.8902699999999999E-3]
[null,1.01752E-4]
[null,-1.36493E-7]
[null,7.6295899999999996E-11]
[null,-1.6045200000000001E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",156.6]
[null,95.57]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",556.36]
[null,43.825000000000003]
[null,-6.3740000000000005E-2]
[null,-229.27]
[]
["MSRK Parameters"]
["Coefficients:",0.55579999999999996]
[null,0.1208]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[1,2]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,4.4429999999999996,"Å",null,395,"pm",null,440.7,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.8909833395970299},null,{"$f":"(D54+D55)/2","v":14.192553500000001},"kmol/m³",{"$f":"G15","v":2859},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":14.70707},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":17566.07}]
["ε/k ",59.7,215.7,"K",null,243,"K",null,227.9,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":4.2666978882644395},{"$f":"0.809*(B13*1000)^(1/3)","v":4.2666978882644395},"Å",null,5.0113765059780313,null,null,4.1217413187308924]
["ε/k",{"$f":"C187","v":242.53950607480346},{"$f":"B11/1.2593","v":242.53950607480346},"K",null,196.38905491022135,null,null,242.53950607480346]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-113.02005805937566]
[null,378.15,-109.36958285476558]
[null,383.15,-105.83030910336863]
[null,388.15,-102.39734246498683]
[null,393.15,-99.066070288358674]
[null,398.15,-95.832141673869913]
[null,403.15,-92.691449203754999]
[null,408.15,-89.640112179489307]
[null,413.15,-86.674461223453719]
[null,418.15,-83.791024117170636]
[null,423.15,-80.986512761941682]
[null,428.15,-78.257811159533148]
[null,433.15,-75.601964986388595]
[null,438.15,-73.016167978070342]
[null,443.15,-70.497759327655984]
[null,448.15,-68.044207825056588]
[null,453.15,-65.65310749738677]
[null,458.15,-63.322169189283301]
[null,463.15,-61.049213612262527]
[null,468.15,-58.832164846028704]
[null,473.15,-56.669044295128657]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":5.6447437412714523}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":4.5050800611191578E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.0173824024835232}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":20.450690558533534}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.0007629]
["Dichte bei der Temperatur des Brechungsindex",1.2336993748474923]
["R0 ",10.99]
["α0/4πε0",4.3259999999999999E-24]
[" νg",1215000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",1.1299691871201794E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",1.1299691871201794E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",7.048702451781903E-102]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,3.8378797449591191E-101]

{"sheet":"Propan","index":15,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["N-Propan","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:22:12"]
[]
["Physical Properties for","n-Propane","(ID",4]
[]
["Formula:","C3H8"]
[]
["Molecular Weight         :",44.095999999999997]
[]
["Critical Temperature     :",369.82,"K"]
["Critical Pressure        :",42.495699999999999,"bar"]
["Critical Volume          :",0.20083000000000001,"m3/kmol"]
[]
["Melting point            :",85.46,"K",null,"heat of fusion",null,3524,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",231.1,"K"]
["IG heat of formation     :",-104.68,"kJ/gmol"]
["IG Gibbs of formation    :",-24.4,"kJ/gmol"]
["Acentric factor          :",0.153]
["Solubility parameter     :",13091,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",2.4310000000000002E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",18.774010000000001,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",10.35,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0.154]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.27629999999999999]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",14.71]
["API gravity              :",147.19999999999999]
["Specific gravity 60 F    :",0.50770000000000004]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",85.44,"Min value:",16.496500000000001]
["Max T(K):",369.82,"Max value:",5.023428]
[]
["Coeffs:",1.3936999999999999,0.27744000000000002,369.82,0.28699999999999998,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",23.15,"Min value:",18.390309999999999]
["Max T(K):",85.44,"Max value:",17.123830000000002]
[]
["Coeffs:",18.861000000000001,-2.0331999999999999E-2,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",85.44,"Min value:",2.0744479999999999E-4]
["Max T(K):",369.82,"Max value:",4141972]
[]
["Coeffs:",54.276000000000003,-3368,-5.2610000000000001,8.6000000000000007E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",85.44,"Min value:",24249530]
["Max T(K):",369.82,"Max value:",70816.820000000007]
[]
["Coeffs:",26720000,0.38550000000000001,-8.5999999999999993E-2,6.8599999999999994E-2,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",44115.01]
["Max T(K):",1500,"Max value:",204669.5]
[]
["Coeffs:",44000,193800,1369,98000,583]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",85.44,"Min value:",85138.45]
["Max T(K):",350,"Max value:",159260.4]
[]
["Coeffs:",122200,-994.3,9.0809999999999995,-3.3549000000000002E-2,4.7383999999999999E-5]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",30,"Min value:",17300]
["Max T(K):",84,"Max value:",52324.4]
[]
["Coeffs:",-11230,1059,-3.6,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",193.15,"Min value:",5.3383430000000003E-6]
["Max T(K):",750,"Max value:",1.8034269999999999E-5]
[]
["Coeffs:",2.2089999999999999E-6,0.38240000000000002,405,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",85.44,"Min value:",9.2095379999999998E-3]
["Max T(K):",369.82,"Max value:",3.60646E-5]
[]
["Coeffs:",-15.765000000000001,618.23,0.8639,-1.7999999999999999E-13,5]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",232.7,"Min value:",1.149146E-2]
["Max T(K):",773.15,"Max value:",8.9370069999999996E-2]
[]
["Coeffs:",6.1500000000000004E-5,1.1696,497.6,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",85.44,"Min value:",0.2515522]
["Max T(K):",369.82,"Max value:",6.1283749999999998E-2]
[]
["Coeffs:",0.34810000000000002,-1.2365E-3,1.2464E-6,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",85.44,"Min value:",3.6282309999999998E-2]
["Max T(K):",369.82,"Max value:",2.247458E-10]
[]
["Coeffs:",4.9624000000000001E-2,1.1919999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",15.725]
[null,1872.8]
[null,-25.100999999999999]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",8.3311600000000006]
[null,5.54989E-3]
[null,1.3525500000000001E-4]
[null,-1.98494E-7]
[null,1.16553E-10]
[null,-2.5327300000000001E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",222.67]
[null,133.4]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-415260]
[null,-1318.8]
[null,1.0466]
[null,8514.1]
[]
["MSRK Parameters"]
["Coefficients:",0.6038]
[null,0.15629999999999999]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[1,2]
[2,1]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,5.1180000000000003,"Å",null,564,"pm",null,511.4,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":5.3638845787412111},null,{"$f":"(D54+D55)/2","v":10.759964},"kmol/m³",{"$f":"G15","v":3524},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":18.774010000000001},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":22298.010000000002}]
["ε/k ",59.7,237.1,"K",null,242,"K",null,237.2,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":4.7375963018025864},{"$f":"0.809*(B13*1000)^(1/3)","v":4.7375963018025864},"Å",null,5.8111849964730329,null,null,2.3496576674382874]
["ε/k",{"$f":"C187","v":293.67108711188752},{"$f":"B11/1.2593","v":293.67108711188752},"K",null,225.16595767167465,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-241.03964151432129]
[null,378.15,-234.18699385924387]
[null,383.15,-227.54601983389125]
[null,388.15,-221.10724010707088]
[null,393.15,-214.86173060975514]
[null,398.15,-208.80108255113907]
[null,403.15,-202.91736583516911]
[null,408.15,-197.20309554537681]
[null,413.15,-191.65120120229918]
[null,418.15,-186.25499852996376]
[null,423.15,-181.00816349600328]
[null,428.15,-175.90470841493874]
[null,433.15,-170.93895992606625]
[null,438.15,-166.10553867679795]
[null,443.15,-161.39934055953916]
[null,448.15,-156.81551936541797]
[null,453.15,-152.34947073173865]
[null,458.15,-147.99681727209787]
[null,463.15,-143.7533947888559]
[null,468.15,-139.61523947726957]
[null,473.15,-135.57857603912123]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":9.510869204102768}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":6.2690219396677821E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.1680104765628092}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":15.980803841201503}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.3656999999999999]
["Dichte bei der Temperatur des Brechungsindex",0.58120000000000005]
["R0 ",15.125,16.982177882863876]
["α0/4πε0",5.9959205792416176E-24]
[" νg",1034376856205048.5]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",1.8480249526072518E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",1.8480249526072518E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",4.2293946014058523E-101]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,1.124184558524266E-100]

{"sheet":"Benzol","index":16,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2023-02-16","Time:","16:15:17"]
[]
["Physical Properties for","Benzene","(ID",40]
[]
["Formula:","C6H6"]
[]
["Molecular Weight         :",78.114000000000004]
[]
["Critical Temperature     :",288.89999999999998,"C"]
["Critical Pressure        :",48.95,"bar"]
["Critical Volume          :",0.25600000000000001,"m3/kmol"]
[]
["Melting point            :",5.5299959999999997,"C",null,"heat of fusion",null,9866,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",80.089979999999997,"C"]
["IG heat of formation     :",82880,"kJ/kmol"]
["IG Gibbs of formation    :",129600,"kJ/kmol"]
["Acentric factor          :",0.21029999999999999]
["Solubility parameter     :",18700,"(J/m3)**0.5"]
["Dipole moment            :",0,"C.m"]
["Radius of Gyration       :",3.0040000000000002E-10,"m"]
[]
["Mean avg. boiling point  :",0,"C"]
["Heat of vaporization     :",30761.43,"kJ/kmol"]
["API net heating value    :",0,"kJ/kmol"]
["API gross heating value  :",0,"kJ/kmol"]
["Liquid volume constant   :",12.26,"cc/mol"]
["Molecular diameter       :",0,"angstroms"]
["Modified acentric factor :",0.21299999999999999]
["UNIQUAC area parameter   :",2.4]
["UNIQUAC volume parameter :",3.1878000000000002]
["Wilson molar volume      :",89.41]
["Stiel polar factor       :",0]
["Rackett constant         :",0.26960000000000001]
["Polar parameter          :",0]
["Eps/K                    :",0]
["Watson factor            :",9.73]
["API gravity              :",28.5]
["Specific gravity 60 F    :",0.88439999999999996]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/kmol"]
["Std Gibbs of formation   :",0,"kJ/kmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",278.68,"Min value:",11.422140000000001]
["Max T(K):",562.04999999999995,"Max value:",3.8866339999999999]
[]
["Coeffs:",1.0259,0.26666000000000001,562.04999999999995,0.28394000000000003,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",273.10000000000002,"Min value:",12.963480000000001]
["Max T(K):",278.68,"Max value:",12.96148]
[]
["Coeffs:",13.061,-3.5710000000000001E-4,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",278.68,"Min value:",4764.21]
["Max T(K):",562.04999999999995,"Max value:",4875092]
[]
["Coeffs:",83.106999999999999,-6486.2,-9.2194000000000003,6.9844000000000004E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",278.68,"Min value:",34704610]
["Max T(K):",562.04999999999995,"Max value:",56296.56]
[]
["Coeffs:",45346000,0.39052999999999999,0,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",200,"Min value:",53580.97]
["Max T(K):",1500,"Max value:",241568.5]
[]
["Coeffs:",44767,230850,1479.2,168360,677.66]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",278.68,"Min value:",132514.29999999999]
["Max T(K):",353.24,"Max value:",150398.6]
[]
["Coeffs:",129440,-169.5,0.64781,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",40,"Min value:",28564.38]
["Max T(K):",278.68,"Max value:",131177]
[]
["Coeffs:",7400,624.9,-2.6873999999999998,7.3159999999999996E-3,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",278.68,"Min value:",7.0769029999999998E-6]
["Max T(K):",1000,"Max value:",2.4858879999999999E-5]
[]
["Coeffs:",3.1340000000000001E-8,0.96760000000000002,7.9,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",278.68,"Min value:",7.7605679999999996E-4]
["Max T(K):",545,"Max value:",7.1059179999999998E-5]
[]
["Coeffs:",7.5117000000000003,294.68,-2.794,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",339.15,"Min value:",1.407214E-2]
["Max T(K):",1000,"Max value:",9.5418450000000002E-2]
[]
["Coeffs:",1.6520000000000001E-5,1.3117000000000001,491,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",278.68,"Min value:",0.14924200000000001]
["Max T(K):",413.1,"Max value:",0.1081471]
[]
["Coeffs:",0.23444000000000001,-3.0571999999999999E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",278.68,"Min value:",3.0799469999999999E-2]
["Max T(K):",562.04999999999995,"Max value:",4.5421379999999998E-11]
[]
["Coeffs:",7.1815000000000004E-2,1.2362,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",16.175000000000001]
[null,2948.8]
[null,-44.563000000000002]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",7.9116]
[null,-1.082E-2]
[null,2.7520000000000002E-4]
[null,-4.2935000000000002E-7]
[null,2.6735999999999999E-10]
[null,-6.0300000000000006E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",545.64]
[null,265.33999999999997]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",0.60429999999999995]
[null,0.22850000000000001]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[10,6]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,3,null,null,6,null,null,9,null,null,12,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,5.3490000000000002,"Å",null,null,"pm",null,545.5,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":6.0086866742957268},null,{"$f":"(D54+D55)/2","v":7.6543869999999998},"kmol/m³",{"$f":"G15","v":9866},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":30761.43},{"$f":"C25","v":"kJ/kmol"},{"$f":"S182+U182","v":40627.43}]
["ε/k ",59.7,412.3,"K",null,null,"K",null,401.2,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial berechnet",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":5.1368298041690936},{"$f":"0.809*(B13*1000)^(1/3)","v":5.1368298041690936},"Å","Gl. 9-4.8",5.1536596014860763,"Å",null,2.834574981399375]
["ε/k",{"$f":"C187","v":229.41316604462793},{"$f":"B11/1.2593","v":229.41316604462793},"K","Gl. 9-4.7",171.40738477399492,"K",null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-85.475522268746587]
[null,378.15,-82.161468575355556]
[null,383.15,-78.947344941255267]
[null,388.15,-75.82881811806223]
[null,393.15,-72.801797827468832]
[null,398.15,-69.862423151863311]
[null,403.15,-67.007046102209401]
[null,408.15,-64.232217170627706]
[null,413.15,-61.534672042156387]
[null,418.15,-58.911319358741217]
[null,423.15,-56.359229439557673]
[null,428.15,-53.875623871695367]
[null,433.15,-51.457865893896539]
[null,438.15,-49.103451503768454]
[null,443.15,-46.810001225879653]
[null,448.15,-44.575252484105512]
[null,453.15,-42.397052527196841]
[null,458.15,-40.273351861330312]
[null,463.15,-38.202198147810364]
[null,468.15,-36.181730527930021]
[null,473.15,-34.210174340564954]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":5.0387962289393915}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":4.2515689692752795E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":0.97294990376348045}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":21.174725836261182}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.5011000000000001]
["Dichte bei der Temperatur des Brechungsindex",0.88]
["R0 ",25.11,26.156252702917886]
["α0/4πε0",9.8900000000000003E-24]
[" νg",803000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",3.9032414880255621E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",3.9032414880255621E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.2491879422043343E-100]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,3.0749394627163898E-101]

{"sheet":"H2S","index":17,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:19:14"]
[]
["Physical Properties for","Hydrogen Sulfide","(ID",50]
[]
["Formula:","H2S"]
[]
["Molecular Weight         :",34.075800000000001]
[]
["Critical Temperature     :",373.55,"K"]
["Critical Pressure        :",90.0779,"bar"]
["Critical Volume          :",9.8489999999999994E-2,"m3/kmol"]
[]
["Melting point            :",187.68,"K",null,"heat of fusion",null,2376.5,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",212.8,"K"]
["IG heat of formation     :",-20.63,"kJ/gmol"]
["IG Gibbs of formation    :",-33.44,"kJ/gmol"]
["Acentric factor          :",0.1]
["Solubility parameter     :",18000,"(J/m3)**0.5"]
["Dipole moment            :",3.2356000000000001E-30,"C.m"]
["Radius of Gyration       :",6.3839999999999996E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",18.66104,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",5.0810000000000004,"cc/mol"]
["Molecular diameter       :",3.49,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",0]
["Stiel polar factor       :",0]
["Rackett constant         :",0.28499999999999998]
["Polar parameter          :",0.21]
["Eps/K                    :",343]
["Watson factor            :",9.1920000000000002]
["API gravity              :",0]
["Specific gravity 60 F    :",0.79010000000000002]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",-39.747999999999998,"kJ/gmol"]
["Std Gibbs of formation   :",-27.86544,"kJ/gmol"]
["Standard entropy         :",3.5607669999999998,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",187.68,"Min value:",28.861270000000001]
["Max T(K):",373.53,"Max value:",10.22017]
[]
["Coeffs:",2.8780000000000001,0.28160000000000002,373.53,0.28570000000000001,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",0,"Min value:",0]
["Max T(K):",0,"Max value:",0]
[]
["Coeffs:",35.215000000000003,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",187.68,"Min value:",22757.33]
["Max T(K):",373.53,"Max value:",8961383]
[]
["Coeffs:",47.808999999999997,-3096,-4.1033999999999997,5.6790000000000002E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",187.68,"Min value:",19783030]
["Max T(K):",373.55,"Max value:",98215.8]
[]
["Coeffs:",21230000,-0.23400000000000001,0.76400000000000001,-0.193,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",33288.06]
["Max T(K):",1500,"Max value:",51432.28]
[]
["Coeffs:",33288,26086,913.4,-17979,949.4]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",114]
[]
["Min T(K):",187.68,"Min value:",67324.990000000005]
["Max T(K):",370,"Max value:",489353.6]
[]
["Coeffs:",64.665999999999997,49354,22.492999999999999,-1623,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",20,"Min value:",5082.88]
["Max T(K):",103.54,"Max value:",41010.089999999997]
[]
["Coeffs:",-8194,772.7,-6.0579999999999998,3.0759999999999999E-2,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",230,"Min value:",9.5671020000000007E-6]
["Max T(K):",570,"Max value:",2.349474E-5]
[]
["Coeffs:",4.2860000000000001E-7,0.67149999999999999,167.1,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",190.12,"Min value:",5.1991349999999995E-4]
["Max T(K):",223.18,"Max value:",4.0345319999999997E-4]
[]
["Coeffs:",-71.015000000000001,2332.5,9.7538,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",200,"Min value:",8.3376490000000008E-3]
["Max T(K):",400,"Max value:",2.1326959999999999E-2]
[]
["Coeffs:",2.3018999999999999E-4,0.84730000000000005,291.74,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",193.15,"Min value:",0.25551040000000003]
["Max T(K):",292.42,"Max value:",0.13797470000000001]
[]
["Coeffs:",0.48420000000000002,-1.1839999999999999E-3,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",187.68,"Min value:",2.9005309999999999E-2]
["Max T(K):",373.53,"Max value:",2.3993039999999997E-7]
[]
["Coeffs:",7.0919999999999997E-2,1.2808999999999999,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",16.565999999999999]
[null,1964.4]
[null,-15.242000000000001]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",7.9480000000000004]
[null,-4.8520000000000004E-3]
[null,2.8909999999999999E-5]
[null,-4.6169000000000001E-8]
[null,3.5855000000000002E-11]
[null,-1.0922E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",342.79]
[null,165.54]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",-6517]
[null,0.21110000000000001]
[null,-1.014E-2]
[null,25.24]
[]
["MSRK Parameters"]
["Coefficients:",0.45939999999999998]
[null,0.17899999999999999]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.6230000000000002,"Å",null,null,"pm",null,373.3,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.3964571319178285},null,{"$f":"(D54+D55)/2","v":19.54072},"kmol/m³",{"$f":"G15","v":2376.5},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":18.66104},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":21037.54}]
["ε/k ",59.7,301.10000000000002,"K",null,null,"K",null,302.39999999999998,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.7360490332182565},{"$f":"0.809*(B13*1000)^(1/3)","v":3.7360490332182565},"Å","(Vk)",4.3760983117172954,null,null,1.7853679377061018]
["ε/k",{"$f":"C187","v":296.63305010720239},{"$f":"B11/1.2593","v":296.63305010720239},"K","(Tk)",239.83912715607806,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-117.56971967008494]
[null,378.15,-114.37618584085193]
[null,383.15,-111.28206613838938]
[null,388.15,-108.282868060967]
[null,393.15,-105.37436464983803]
[null,398.15,-102.55257519907785]
[null,403.15,-99.813747619916384]
[null,408.15,-97.154342296591864]
[null,413.15,-94.571017288851209]
[null,418.15,-92.06061475206964]
[null,423.15,-89.620148459823383]
[null,428.15,-87.24679232609877]
[null,433.15,-84.937869835025552]
[null,438.15,-82.690844295661194]
[null,443.15,-80.503309847751936]
[null,448.15,-78.372983151898381]
[null,453.15,-76.297695704214718]
[null,458.15,-74.275386721485972]
[null,463.15,-72.30409654806158]
[null,468.15,-70.38196054046081]
[null,473.15,-68.507203389832526]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":4.577871909022341}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.9873414910738107E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.1398928060649391}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":20.473150501347234}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur"]
["Dichte bei der Temperatur des Brechungsindex"]
["R0 ",9.2509999999999994]
["α0/4πε0"]
[" νg",1323000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",8.7208139216230036E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",8.7208139216230036E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",8.5049945163281435E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,8.1392029638104697E-102]

{"sheet":"NH3","index":18,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:19:09"]
[]
["Physical Properties for","Ammonia","(ID",63]
[]
["Formula:","NH3"]
[]
["Molecular Weight         :",17.030999999999999]
[]
["Critical Temperature     :",405.65,"K"]
["Critical Pressure        :",112.7848,"bar"]
["Critical Volume          :",7.2470000000000007E-2,"m3/kmol"]
[]
["Melting point            :",195.41,"K",null,"heat of fusion",null,5657,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",239.72,"K"]
["IG heat of formation     :",-45.898000000000003,"kJ/gmol"]
["IG Gibbs of formation    :",-16.401,"kJ/gmol"]
["Acentric factor          :",0.252]
["Solubility parameter     :",29217,"(J/m3)**0.5"]
["Dipole moment            :",4.9034000000000002E-30,"C.m"]
["Radius of Gyration       :",8.5330009999999997E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",23.34722,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",6.9080000000000004,"cc/mol"]
["Molecular diameter       :",3.15,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",0]
["UNIQUAC volume parameter :",0]
["Wilson molar volume      :",26.65]
["Stiel polar factor       :",1.2999999999999999E-2]
["Rackett constant         :",0]
["Polar parameter          :",0.7]
["Eps/K                    :",358]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.61890000000000001]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",-80.290949999999995,"kJ/gmol"]
["Std Gibbs of formation   :",-26.5684,"kJ/gmol"]
["Standard entropy         :",6.5348129999999998,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",195.41,"Min value:",43.114750000000001]
["Max T(K):",405.65,"Max value:",13.99878]
[]
["Coeffs:",3.5430000000000001,0.25470999999999999,405.65,0.28870000000000001,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",194.15,"Min value:",47.972999999999999]
["Max T(K):",194.15,"Max value:",47.972999999999999]
[]
["Coeffs:",47.972999999999999,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",195.41,"Min value:",6117.6980000000003]
["Max T(K):",405.65,"Max value:",11315240]
[]
["Coeffs:",90.450999999999993,-4669,-11.601000000000001,1.7183E-2,1]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",195.41,"Min value:",25298080]
["Max T(K):",405.65,"Max value:",20931.66]
[]
["Coeffs:",31523000,0.39140000000000003,-0.22889999999999999,0.23089999999999999,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",33480.089999999997]
["Max T(K):",1500,"Max value:",66276.100000000006]
[]
["Coeffs:",33480,48200,951.89,-30100,1056]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",195.41,"Min value:",82003.44]
["Max T(K):",385.15,"Max value:",147227.70000000001]
[]
["Coeffs:",3009400,-43692,241.14,-0.58560000000000001,5.2952999999999995E-4]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",20,"Min value:",1604]
["Max T(K):",190,"Max value:",48796]
[]
["Coeffs:",-5240,349,-0.34,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",195.41,"Min value:",6.3780029999999996E-6]
["Max T(K):",1000,"Max value:",3.5511820000000002E-5]
[]
["Coeffs:",4.1855E-8,0.98060000000000003,30.8,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",195.41,"Min value:",5.2401879999999996E-4]
["Max T(K):",393.15,"Max value:",4.857575E-5]
[]
["Coeffs:",-6.7430000000000003,598.29999999999995,-0.73409999999999997,-3.69E-27,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",200,"Min value:",1.460929E-2]
["Max T(K):",700,"Max value:",9.4090660000000007E-2]
[]
["Coeffs:",-4.5900000000000003E-2,0.16520000000000001,-1707.8,0,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",220.05,"Min value:",0.65800579999999997]
["Max T(K):",400.05,"Max value:",0.24688579999999999]
[]
["Coeffs:",1.1606000000000001,-2.284E-3,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",195.41,"Min value:",4.4179000000000003E-2]
["Max T(K):",405.65,"Max value:",1.1265450000000001E-10]
[]
["Coeffs:",9.1200000000000003E-2,1.1028,0,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",17.509]
[null,2363.1999999999998]
[null,-22.620999999999999]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",8.0360999999999994]
[null,-4.261E-3]
[null,2.798E-5]
[null,-2.9314E-8]
[null,1.3406E-11]
[null,-2.3176E-15]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",349.04]
[null,169.63]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0]
[null,0]
[]
["Henrys Constants"]
["Coefficients:",439.3]
[null,-0.54349999999999998]
[null,1.119E-2]
[null,1.034]
[]
["MSRK Parameters"]
["Coefficients:",0.78380000000000005]
[null,0.16039999999999999]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,2.9,"Å",null,null,"pm",null,321.5,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.8741820765813504},null,{"$f":"(D54+D55)/2","v":28.556764999999999},"kmol/m³",{"$f":"G15","v":5657},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":23.34722},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":29004.22}]
["ε/k ",59.7,558.29999999999995,"K",null,null,"K",null,309.89999999999998,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.3728829916608105},{"$f":"0.809*(B13*1000)^(1/3)","v":3.3728829916608105},"Å",null,4.6843036423482571,null,null,1.6744667093680314]
["ε/k",{"$f":"C187","v":322.1234018899388},{"$f":"B11/1.2593","v":322.1234018899388},"K",null,222.39722130493558,null,null,59.7]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-122.91097177712416]
[null,378.15,-119.38221307141585]
[null,383.15,-115.96230072047165]
[null,388.15,-112.64636853023994]
[null,393.15,-109.42983486452468]
[null,398.15,-106.30838218818739]
[null,403.15,-103.27793834732971]
[null,408.15,-100.33465941704502]
[null,413.15,-97.474913965908797]
[null,418.15,-94.695268602724965]
[null,423.15,-91.992474685409334]
[null,428.15,-89.363456084594176]
[null,433.15,-86.805297905678188]
[null,438.15,-84.31523608299652]
[null,443.15,-81.890647768509396]
[null,448.15,-79.529042445206755]
[null,453.15,-77.228053702355012]
[null,458.15,-74.985431615830549]
[null,463.15,-72.799035682302005]
[null,468.15,-70.666828260900914]
[null,473.15,-68.586868480412775]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":4.3115834377495332}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.5909276722229743E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.1767024104435011}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":20.49080940643497}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur"]
["Dichte bei der Temperatur des Brechungsindex"]
["R0 ",5.4480000000000004,123]
["α0/4πε0"]
[" νg",1725000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",3.9442186770400478E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",3.9442186770400478E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.0909048602429779E-103]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,5.8200211496236196E-102]

{"sheet":"Methanol","index":19,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:22:16"]
[]
["Physical Properties for","Methyl Alcohol","(ID",117]
[]
["Formula:","CH3OH"]
[]
["Molecular Weight         :",32.042000000000002]
[]
["Critical Temperature     :",512.64,"K"]
["Critical Pressure        :",80.97,"bar"]
["Critical Volume          :",0.11799999999999999,"m3/kmol"]
[]
["Melting point            :",175.47,"K",null,"heat of fusion",null,3215.01,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",337.85,"K"]
["IG heat of formation     :",-200.94,"kJ/gmol"]
["IG Gibbs of formation    :",-162.32,"kJ/gmol"]
["Acentric factor          :",0.56399999999999995]
["Solubility parameter     :",29590,"(J/m3)**0.5"]
["Dipole moment            :",5.6700000000000003E-30,"C.m"]
["Radius of Gyration       :",1.5519999999999999E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",35.255139999999997,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",5.4627999999999997,"cc/mol"]
["Molecular diameter       :",3.69,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",1.4319999999999999]
["UNIQUAC volume parameter :",1.4311]
["Wilson molar volume      :",40.728999999999999]
["Stiel polar factor       :",3.6999999999999998E-2]
["Rackett constant         :",0]
["Polar parameter          :",0.5]
["Eps/K                    :",417]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.80059780000000003]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",175.47,"Min value:",27.912019999999998]
["Max T(K):",512.64,"Max value:",8.6532879999999999]
[]
["Coeffs:",2.2879999999999998,0.26850000000000002,512.64,0.24529999999999999,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",163.15,"Min value:",30.585000000000001]
["Max T(K):",163.15,"Max value:",30.585000000000001]
[]
["Coeffs:",30.585000000000001,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",175.47,"Min value:",0.1114692]
["Max T(K):",512.64,"Max value:",8140235]
[]
["Coeffs:",81.768000000000001,-6876,-8.7078000000000007,7.1926000000000004E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",175.47,"Min value:",44900320]
["Max T(K):",512.64,"Max value:",65825.460000000006]
[]
["Coeffs:",52390000,0.36820000000000003,0,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",200,"Min value:",39802.29]
["Max T(K):",1500,"Max value:",105329.2]
[]
["Coeffs:",39252,87900,1916.5,53654,896.7]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",175.47,"Min value:",71117.179999999993]
["Max T(K):",400,"Max value:",110972]
[]
["Coeffs:",105800,-362.23,0.93789999999999996,0,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",25,"Min value:",8198.2510000000002]
["Max T(K):",150,"Max value:",57752]
[]
["Coeffs:",-12706,958.78,-5.2332000000000001,1.3152E-2,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",240,"Min value:",7.5231900000000004E-6]
["Max T(K):",1000,"Max value:",3.1280779999999999E-5]
[]
["Coeffs:",3.0662999999999999E-7,0.69655,205,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",175.47,"Min value:",1.192768E-2]
["Max T(K):",337.85,"Max value:",3.4423199999999998E-4]
[]
["Coeffs:",-25.317,1789.2,2.069,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",273,"Min value:",1.365155E-2]
["Max T(K):",1000,"Max value:",0.1392687]
[]
["Coeffs:",-7.7629999999999999,1.0279,-74360000,6770000000,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",175.47,"Min value:",0.23439289999999999]
["Max T(K):",337.85,"Max value:",0.18876409999999999]
[]
["Coeffs:",0.28370000000000001,-2.81E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",100]
[]
["Min T(K):",273.10000000000002,"Min value:",2.4138010000000001E-2]
["Max T(K):",503.15,"Max value:",8.035812E-4]
[]
["Coeffs:",3.5130000000000002E-2,-7.0400000000000004E-6,-1.216E-7,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",18.510000000000002]
[null,3593.4]
[null,-35.225000000000001]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",10.3689]
[null,-2.24742E-2]
[null,1.14522E-4]
[null,-1.4417E-7]
[null,7.9858400000000003E-11]
[null,-1.6713600000000001E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",555.29999999999995]
[null,260.64]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",4.3139499999999997E-2]
[null,0.763826]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",1.3012999999999999]
[null,0.20050000000000001]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[16,1]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,3.6259999999999999,"Å",null,null,"pm",null,365.7,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":4.4950716299483853},null,{"$f":"(D54+D55)/2","v":18.282654000000001},"kmol/m³",{"$f":"G15","v":3215.01},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":35.255139999999997},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":38470.15}]
["ε/k ",59.7,481.8,"K",null,null,"K",null,385.2,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":3.9680383184029302},{"$f":"0.809*(B13*1000)^(1/3)","v":3.9680383184029302},"Å",null,6.7668989210083828,null,null,4.2486771475763998]
["ε/k",{"$f":"C187","v":407.08330024616845},{"$f":"B11/1.2593","v":407.08330024616845},"K",null,228.44573635213538,null,null,407.08330024616845]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-392.57765256655455]
[null,378.15,-381.53991826222028]
[null,383.15,-370.84371228740434]
[null,388.15,-360.47370925590536]
[null,393.15,-350.4154832961533]
[null,398.15,-340.65544315058685]
[null,403.15,-331.180772805039]
[null,408.15,-321.97937710693355]
[null,413.15,-313.03983189064184]
[null,418.15,-304.35133818083148]
[null,423.15,-295.90368009047955]
[null,428.15,-287.68718607097321]
[null,433.15,-279.69269320734622]
[null,438.15,-271.91151428349696]
[null,443.15,-264.33540737015602]
[null,448.15,-256.9565477132769]
[null,453.15,-249.76750172266455]
[null,458.15,-242.76120288015753]
[null,463.15,-235.93092940437228]
[null,468.15,-229.27028352454838]
[null,473.15,-222.7731722299464]
[null,463.15,15.667494102369208]
[null,468.15,15.716724768094869]
[null,473.15,15.764459548949555]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":9.5914716831615632}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":4.5608179128616852E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.3399764817072211}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":13.669396387020095}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.3288]
["Dichte bei der Temperatur des Brechungsindex",0.79]
["R0 ",8.2219999999999995,8.2467458457193992]
["α0/4πε0"]
[" νg",1402935646848648.2]
[]
[]
[]
[]
[]
["ϕOrientierung"]
["ϕInduktion"]
["ϕDispersion",7.4068059126443763E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",7.4068059126443763E-59]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.3744965901467227E-102]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6"]
[null,5.6021840017581913E-101]

{"sheet":"Ethanol","index":20,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:22:20"]
[]
["Physical Properties for","Ethyl Alcohol","(ID",134]
[]
["Formula:","C2H5OH","C2H6O"]
[]
["Molecular Weight         :",46.069000000000003,"g/mol"]
[]
["Critical Temperature     :",513.91999999999996,"K"]
["Critical Pressure        :",61.48,"bar"]
["Critical Volume          :",0.16700000000000001,"m3/kmol"]
[]
["Melting point            :",159.05000000000001,"K",null,"heat of fusion",null,4931.0200000000004,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",351.44,"K"]
["IG heat of formation     :",-234.95,"kJ/gmol"]
["IG Gibbs of formation    :",-167.85,"kJ/gmol"]
["Acentric factor          :",0.6452]
["Solubility parameter     :",26130,"(J/m3)**0.5"]
["Dipole moment            :",5.6400000000000002E-30,"C.m"]
["Radius of Gyration       :",2.2589999999999999E-10,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",38.744669999999999,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",7.8882000000000003,"cc/mol",null,0.7893,"g/cm³","20°C, Wikipedia"]
["Molecular diameter       :",4.3099999999999996,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",1.972]
["UNIQUAC volume parameter :",2.1053999999999999]
["Wilson molar volume      :",58.68]
["Stiel polar factor       :",0]
["Rackett constant         :",0]
["Polar parameter          :",0.3]
["Eps/K                    :",431]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",0.79630319999999999]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",0,"kJ/gmol"]
["Std Gibbs of formation   :",0,"kJ/gmol"]
["Standard entropy         :",0,"kJ/kg-K"]
["Standard heat capacity   :",0,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",159.05000000000001,"Min value:",19.412790000000001]
["Max T(K):",513.91999999999996,"Max value:",5.965179]
[]
["Coeffs:",1.6479999999999999,0.27627000000000002,513.91999999999996,0.2331,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",159.05000000000001,"Min value:",22.9]
["Max T(K):",159.05000000000001,"Max value:",22.9]
[]
["Coeffs:",22.9,0,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",159.05000000000001,"Min value:",4.8458879999999999E-4]
["Max T(K):",513.91999999999996,"Max value:",6117134]
[]
["Coeffs:",74.474999999999994,-7164.3,-7.327,3.134E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",159.05000000000001,"Min value:",50244760]
["Max T(K):",513.91999999999996,"Max value:",268471.8]
[]
["Coeffs:",56900000,0.33589999999999998,0,0,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",200,"Min value:",52235.83]
["Max T(K):",1500,"Max value:",165758.20000000001]
[]
["Coeffs:",49200,145770,1662.8,93900,744.7]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",159.05000000000001,"Min value:",87866.559999999998]
["Max T(K):",390,"Max value:",164497.1]
[]
["Coeffs:",102640,-139.63,-3.0341E-2,2.0385999999999998E-3,0]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",25,"Min value:",11230.94]
["Max T(K):",159,"Max value:",65335.8]
[]
["Coeffs:",-13500,1175.5,-8.0429999999999993,2.3699999999999999E-2,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",200,"Min value:",6.0293939999999997E-6]
["Max T(K):",1000,"Max value:",2.6505349999999999E-5]
[]
["Coeffs:",1.0613E-7,0.80659999999999998,52.7,0,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",200,"Min value:",1.3147519999999999E-2]
["Max T(K):",440,"Max value:",1.4159719999999999E-4]
[]
["Coeffs:",7.875,781.98,-3.0417999999999998,0,0]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",293.14999999999998,"Min value:",1.474703E-2]
["Max T(K):",1000,"Max value:",0.13417270000000001]
[]
["Coeffs:",-1.0109E-2,0.64749999999999996,-7332,-268000,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",159.05000000000001,"Min value:",0.20481079999999999]
["Max T(K):",353.15,"Max value:",0.15356839999999999]
[]
["Coeffs:",0.24679999999999999,-2.6400000000000002E-4,0,0,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",100]
[]
["Min T(K):",273.14999999999998,"Min value:",2.410054E-2]
["Max T(K):",503.15,"Max value:",8.3816439999999999E-4]
[]
["Coeffs:",3.764E-2,-2.1569999999999998E-5,-1.025E-7,0,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",18.911999999999999]
[null,3804]
[null,-41.68]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",6.7218099999999996]
[null,1.7066100000000001E-2]
[null,7.5398100000000006E-5]
[null,-1.2436999999999999E-7]
[null,7.6207700000000005E-11]
[null,-1.6918699999999999E-14]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",686.64]
[null,300.83999999999997]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",4.4051300000000002E-2]
[null,0.80778700000000003]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",1.1545000000000001]
[null,0.4047]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[1,1]
[2,1]
[null,1]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V"]
["σ",2.827,4.53,"Å",null,null,"pm",null,431.7,"pm",null,null,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":5.0770028575239534},null,{"$f":"(D54+D55)/2","v":12.6889845},"kmol/m³",{"$f":"G15","v":4931.0200000000004},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":38.744669999999999},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":43675.69}]
["ε/k ",59.7,362.6,"K",null,null,"K",null,450.2,"K",null,null,"K"]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"]
["σ",{"$f":"C186","v":4.4550646631273692},{"$f":"0.809*(B13*1000)^(1/3)","v":4.4550646631273692},"Å",null,7.6769528865373218,null,null,4.8263609982206326]
["ε/k",{"$f":"C187","v":408.09973794965452},{"$f":"B11/1.2593","v":408.09973794965452},"K",null,221.54138805513452,null,null,408.09973794965452]
[]
[]
[]
[]
["Virial/SRK Daten aus Tabelle Virial","Temperatur K","B Virial LJ"]
[null,373.15,-536.50237809216685]
[null,378.15,-521.05131937328804]
[null,383.15,-506.07664880935044]
[null,388.15,-491.55707963893911]
[null,393.15,-477.47256922092089]
[null,398.15,-463.80422964078207]
[null,403.15,-450.53424590363403]
[null,408.15,-437.64580097418059]
[null,413.15,-425.12300700529357]
[null,418.15,-412.95084216790502]
[null,423.15,-401.1150925578645]
[null,428.15,-389.60229871051268]
[null,433.15,-378.39970630283796]
[null,438.15,-367.4952206659442]
[null,443.15,-356.87736476913301]
[null,448.15,-346.53524037066546]
[null,453.15,-336.45849206055607]
[null,458.15,-326.63727394755858]
[null,463.15,-317.06221876650073]
[null,468.15,-307.72440920353648]
[null,473.15,-298.61535125578536]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":12.695259652639956}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":6.0216574069892663E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.3830072869708085}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":9.8042653281137859}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.3606]
["Dichte bei der Temperatur des Brechungsindex",0.7893]
["R0 ",12.900753752581803,12.900753752581803]
["α0/4πε0"]
[" νg",1120002375192050.7]
[]
[]
[]
[]
[]
["ϕOrientierung",1.3237009260930514E-58]
["ϕInduktion",3.253597139066812E-69]
["ϕDispersion",1.4557519625721206E-58]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.7794528886977077E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",1.4953728726946332E-101]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6",1.7304549034656567E-57]
[null,2.1443429315631061E-100]

{"sheet":"Wasser","index":21,"n_rows":247,"n_cols":23,"rows_kept":247,"cut":false,"hidden":false,"merged":[]}
["CHEMCAD","6.5.7","Page",1]
[]
["Simulation name:","LJ Parameter","Date:","2021-12-27","Time:","17:22:27"]
[]
["Physical Properties for","Water","(ID",62]
[]
["Formula:","H2O"]
[]
["Molecular Weight         :",18.015000000000001]
[]
["Critical Temperature     :",647.35,"K"]
["Critical Pressure        :",221.1823,"bar"]
["Critical Volume          :",6.3493999999999995E-2,"m3/kmol"]
[]
["Melting point            :",273.14999999999998,"K",null,"heat of fusion",null,6001.76,"kJkmol","(Schmelzenthalpie)"]
["Normal boiling point     :",373.15,"K"]
["IG heat of formation     :",-241.82,"kJ/gmol"]
["IG Gibbs of formation    :",-228.59,"kJ/gmol"]
["Acentric factor          :",0.34799999999999998]
["Solubility parameter     :",47813,"(J/m3)**0.5"]
["Dipole moment            :",6.1709000000000001E-30,"C.m"]
["Radius of Gyration       :",6.1499999999999994E-11,"m"]
[]
["Mean avg. boiling point  :",0,"K"]
["Heat of vaporization     :",40.656799999999997,"kJ/gmol"]
["API net heating value    :",0,"kJ/gmol"]
["API gross heating value  :",0,"kJ/gmol"]
["Liquid volume constant   :",2.552,"cc/mol"]
["Molecular diameter       :",2.52,"angstroms"]
["Modified acentric factor :",0]
["UNIQUAC area parameter   :",1.3996999999999999]
["UNIQUAC volume parameter :",0.92]
["Wilson molar volume      :",18.068999999999999]
["Stiel polar factor       :",2.3E-2]
["Rackett constant         :",0]
["Polar parameter          :",1]
["Eps/K                    :",775]
["Watson factor            :",0]
["API gravity              :",0]
["Specific gravity 60 F    :",1]
[]
["Electrolyte Data (at 25C):"]
[]
["Electrolyte state        :",0]
["Electrolyte type         :",0]
["Electrolyte charge       :",0]
["Std heat of formation    :",-285.83069999999998,"kJ/gmol"]
["Std Gibbs of formation   :",-237.17920000000001,"kJ/gmol"]
["Standard entropy         :",3.8809140000000002,"kJ/kg-K"]
["Standard heat capacity   :",4.1793560000000003,"kJ/kg-K"]
[]
["Liquid Density (kmol/m3)               Equation Number:",105]
[]
["Min T(K):",273.16000000000003,"Min value:",55.582610000000003]
["Max T(K):",333.15,"Max value:",54.702849999999998]
[]
["Coeffs:",5.4589999999999996,0.30542000000000002,647.13,8.1000000000000003E-2,0]
[]
["Solid Density (kmol/m3)                Equation Number:",100]
[]
["Min T(K):",233.15,"Min value:",51.201889999999999]
["Max T(K):",273.14999999999998,"Max value:",50.888260000000002]
[]
["Coeffs:",53.03,-7.8408999999999996E-3,0,0,0]
[]
["Vapor Pressure (Pascals)               Equation Number:",101]
[]
["Min T(K):",273.16000000000003,"Min value:",615.10659999999996]
["Max T(K):",647.13,"Max value:",21937180]
[]
["Coeffs:",72.55,-7206.7,-7.1384999999999996,4.0459999999999999E-6,2]
[]
["Heat of Vaporization (J/kmol)          Equation Number:",106]
[]
["Min T(K):",273.16000000000003,"Min value:",44735670]
["Max T(K):",647.35,"Max value:",142937.4]
[]
["Coeffs:",52053000,0.31990000000000002,-0.21199999999999999,0.25800000000000001,0]
[]
["Ideal Gas Heat Capacity (J/kmol-K)     Equation Number:",107]
[]
["Min T(K):",100,"Min value:",33359]
["Max T(K):",1500,"Max value:",47105.120000000003]
[]
["Coeffs:",33359,26798,2609.3000000000002,8888,1167.5999999999999]
[]
["Liquid Heat Capacity (J/kmol-K)        Equation Number:",100]
[]
["Min T(K):",273.14999999999998,"Min value:",76150.570000000007]
["Max T(K):",533.15,"Max value:",89393.9]
[]
["Coeffs:",276370,-2090.1,8.125,-1.4116E-2,9.3701000000000003E-6]
[]
["Solid Heat Capacity (J/kmol-K)         Equation Number:",100]
[]
["Min T(K):",3.15,"Min value:",180.148]
["Max T(K):",273.14999999999998,"Max value:",38120.550000000003]
[]
["Coeffs:",-262.49,140.52000000000001,0,0,0]
[]
["Vapor Viscosity (Pascal-sec)           Equation Number:",102]
[]
["Min T(K):",373.15,"Min value:",1.2178720000000001E-5]
["Max T(K):",1073.1500000000001,"Max value:",4.0454300000000003E-5]
[]
["Coeffs:",2.6985999999999999E-6,0.498,1257.7,-19570,0]
[]
["Liquid Viscosity (Pascal-sec)          Equation Number:",101]
[]
["Min T(K):",273.14999999999998,"Min value:",1.723713E-3]
["Max T(K):",643.15,"Max value:",5.369558E-5]
[]
["Coeffs:",-51.963999999999999,3670.6,5.7331000000000003,-5.3495000000000003E-29,10]
[]
["Vapor Thermal Conductivity (W/m-K)     Equation Number:",102]
[]
["Min T(K):",373.15,"Min value:",2.4760420000000002E-2]
["Max T(K):",1073.0999999999999,"Max value:",0.1075006]
[]
["Coeffs:",6.9770000000000005E-5,1.1243000000000001,844.9,-148850,0]
[]
["Liquid Thermal Conductivity (W/m-K)    Equation Number:",100]
[]
["Min T(K):",273.14999999999998,"Min value:",0.5671408]
["Max T(K):",633.15,"Max value:",0.42696329999999999]
[]
["Coeffs:",-0.42670000000000002,5.6899999999999997E-3,-8.0065000000000003E-6,1.815E-9,0]
[]
["Liquid Surface Tension (N/m)           Equation Number:",106]
[]
["Min T(K):",273.16000000000003,"Min value:",7.7946840000000003E-2]
["Max T(K):",647.35,"Max value:",6.2855610000000005E-10]
[]
["Coeffs:",0.1855,2.7170000000000001,-3.5539999999999998,2.0470000000000002,0]
[]
["Antoine Vapor Pressure (mmHg)"]
["Coefficients:",18.303999999999998]
[null,3816.4]
[null,-46.13]
[]
["Polynomial Ideal Gas Heat Capacity (cal/mol-K)"]
["Coefficients:",7.9755000000000003]
[null,-6.8835000000000001E-4]
[null,2.7806000000000001E-6]
[null,1.9182999999999999E-9]
[null,-3.0396000000000001E-12]
[null,9.1595000000000002E-16]
[]
["Two-Term Liquid Viscosity (cP)"]
["Coefficients:",656.25]
[null,283.16000000000003]
[]
["Two-Term Surface Tension (N/m)"]
["Coefficients:",0.15454200000000001]
[null,1.1161000000000001]
[]
["Henrys Constants"]
["Coefficients:",0]
[null,0]
[null,0]
[null,0]
[]
["MSRK Parameters"]
["Coefficients:",0.94989999999999997]
[null,0.1633]
[]
["UNIFAC/UNIQUAC Sub-Groups:     Sub-Group ID        Contribution"]
[17,1]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,"?",3,null,null,6,null,null,9,null,null,12,null,null,15,null,null,null,null,null,null,null,23]
["Lennard-Jones Daten Literatur",null,"Poling, Prausnitz Appendix B",null,null,"McQuarrie Physical Chemistry S. 663 Tabelle 16.7",null,null,"Mourits 1976",null,null,"Ebert, Ederer",null,null,"sigma Å","aus","miltlere Flüssigdichte",null,"Schmelzenthalpie",null," Verdampfungswärme",null,"S + V (Sublimation)"]
["σ",null,2.641,"Å",null,null,"pm",null,271,"pm",null,0,"Å",null,{"$f":"10/(Q182*6.02214086E+23)^(1/3)*100000000","v":3.1111451655879994},null,{"$f":"(D54+D55)/2","v":55.14273},"kmol/m³",{"$f":"G15","v":6001.76},{"$f":"H15","v":"kJkmol"},{"$f":"B25","v":40.656799999999997},{"$f":"C25","v":"kJ/gmol"},{"$f":"S182+U182*1000","v":46658.559999999998}]
["ε/k ",null,809.1,"K",null,null,"K",null,506,"K",null,0,"K",null,null," "]
[]
["Lennard-Jones Daten berechnet",null,"Gl.  9-4.8 und 9-4.7 in Poling, Prausnitz S. 9.7 aus krit. Daten",null,null,"Virial berechnet",null,null,"Gasviskosität",null,null,"Virialkoeffizient cm³/mol",null,"Poling, Prausnitz"," "]
["σ",null,{"$f":"0.809*(B13*1000)^(1/3)","v":3.2274492170409208},"Å",null,4.6005556969814352,"Å",null,3.6703622440314412]
["ε/k",null,{"$f":"B11/1.2593","v":514.05542761851825},"K",null,335.0829323226493,"K",null,{"$f":"C183","v":809.1}]
[]
[]
[]
[]
[null,null,null,null,null,null,"Dichte = Cells(reihe, 17 + V) * Mg                      'kgh/m³ : CC kmol/m³ * kg/kmol  = in Kg/m³ Werte aus Stoffliste"]
["R0 ",null,"cm³/mol","Moelwyh-Hughes",null,null,"sigma = (Mg / (Dichte * N)) ^ (1 / 3) * 10              '28.1.22 Sigma [pm] Formel aus Dichte [g/cm³] kubisch einfach, könnte man als hexagonal erweitern"]
["alpha'=alpha/(4πε0)",null,"cm³","Moelwyh-Hughes"]
["vg",null,"s-1","Moelwyh-Hughes"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["a (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,1)","v":5.599024178788059}]
["b (SRK",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,2)","v":2.1083522193440053E-2}]
["alpha",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,3)","v":1.4071479512749627}]
["P (SRK)",{"$f":"pSRKabalpha($B$11,$B$12,$B$13,298,1,0)","v":17.594762648373056}]
[]
[]
[]
[]
[]
[]
[]
[]
["Brechungsindes und Temperatur",1.333]
["Dichte bei der Temperatur des Brechungsindex",0.998]
["R0 ",3.6680000000000001,3.7140606912037608]
["α0/4πε0"]
[" νg",2102000000000000]
[]
[]
[]
[]
[]
["ϕOrientierung",1.8971236689390469E-58]
["ϕInduktion",1.09978624008E-69]
["ϕDispersion",2.1781329804169813E-59]
["B aus ϕOrientierung+ϕInduktion+ϕDispersion in erg.cm6",2.1149369669917427E-58]
[]
["A aus sigma, eps von Poling, Prausnitz in erg.cm^12",5.1447738562266553E-104]
["B aus sigma, eps von Poling, Prausnitz in erg.cm^6",1.5161978707895343E-58]
["A Stoßberechnung",5.4759094970237338E-104]

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[]
[41.1456431386015,"Virial"]
["Stoff-Nr.",22]
["Name","Wasser"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(1)"]
["ε/k (Virial)",null,"Lfd. Nr","Stoffname","wählen, dann (1):",null,null,null,null,null,null,null,null,null,null,"Name","sigma Lit. Poling Å","sigma Virial berechnet Å","eps/K Literatur Poling K","eps/k Virial berechnet K"," "]
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[29.46665624027008,null,2,2,"He","MG",18.015000000000001,"g/mol",null,null,"Molgewicht"," ",null,null,2,"He",2.5510000000000002,2.6011352091368907,10.220000000000001,29.46665624027008]
[24.789580680937412,null,3,3,"Ne","Tk",647.35,"K",{"$f":"G10+273.15","v":920.5},"*C","krit. Temperatur"," ",null,null,3,"Ne",2.82,2.632135218195939,32.799999999999997,24.789580680937412]
[111.73029167383534,null,4,4,"Ar","pk",221.1823,"bar",null,null,"krit. Druck"," ",null,null,4,"Ar",3.5419999999999998,3.5229669273659878,93.3,111.73029167383534]
[153.31652901690049,null,5,5,"Kr","Vk",6.3493999999999995E-2,"m3/kmol",{"$f":"G12*1000","v":63.493999999999993},"cm3/mol","krit. Volumen"," ",null,null,5,"Kr",3.6549999999999998,3.908101437413698,178.6,153.31652901690049]
[216.37199444605272,null,6,6,"Xe","Omega",0.34799999999999998,null,null,null,"azentrischer Faktor"," ",null,null,6,"Xe",4.0469999999999997,4.2080694286205524,231,216.37199444605272]
[111.85694228848196,null,7,7,"O2","Ts",373.15,null,{"$f":"G14-273.15","v":100},"°C","Siedetemperatur"," ",null,null,7,"O2",3.4670000000000001,3.616779174827641,106.7,111.74348029054617]
[86.743841200734266,null,8,8,"N2","σ (Virial)",4.6005556969814352,"Å",null,null,"Virial",null,null,null,8,"N2",3.798,3.7307553980923029,71.400000000000006,86.743841200734266]
[99.135649509647692,null,9,9,"F2","ε/k (Virial)",335.0829323226493,"K",null,null,"Virial",null,null,null,9,"F2",3.3570000000000002,3.5447998037061614,112.6,100.00087898244273]
[282.63376334565692,null,10,10,"Cl2",null,null,null,null,null,null,null,null,null,10,"Cl2",4.2169999999999996,4.6088015373147293,316,282.63376334565692]
[460.68813456021496,null,11,11,"Br2","V0 ",{"$f":"22.413996*1.01325","v":22.710981447000002},"l/mol bei 1,01325 bar",null,null,null,null,null,null,11,"Br2",4.2960000000000003,4.2920834721338927,507.9,460.68813456021496]
[86.467690879636663,null,12,12,"CO","σ (Vk)",3.2274492170409208,"Å","aus Vk",null,null," ",null,null,12,"CO",3.69,3.8122063457474389,91.7,86.467690879636663]
[176.2609368528496,null,13,13,"CO2","ε/k (Tk)",514.05542761851825,"K","aus Tk",null,null,null,null,null,13,"CO2",3.9409999999999998,4.7950127842884722,195.2,171.52412568250827]
[139.31591412403048,null,14,14,"Methan","Ts",373.15,"K","unterste Temperatur",null,null,null,null,null,14,"Methan",3.758,3.9823261373007646,148.6,139.31591412403048]
[196.38905491022135,null,15,15,"Ethan","Temperatur K","B Virial LJ","B SRK","Diff",null,null,null,null,null,15,"Ethan",4.4429999999999996,5.0113765059780313,215.7,196.38905491022135]
[225.16595767167465,null,16,16,"Propan",373.15,{"$f":"Virialf($G$15,$G$16,F23,0.001)","v":-257.46073915568917},{"$f":"SRKBVirialF($G$10,$G$11,$G$12,$G$13,F23,$G$18)","v":-257.16290628398991},{"$f":"(G23-H23)^2","v":8.8704419464625747E-2},null,null,null,null,null,16,"Propan",5.1180000000000003,5.8111849964730329,237.1,225.16595767167465]
[171.40738477399492,null,17,17,"Benzol",{"$f":"F23+5","v":378.15},-251.41663194276029,{"$f":"SRKBVirialF($G$10,$G$11,$G$12,$G$13,F24,$G$18)","v":-251.23272809503737},{"$f":"(G24-H24)^2","v":3.3820625207293724E-2},null,null,null,null,null,17,"Benzol",5.3490000000000002,5.1536596014860763,412.3,171.40738477399492]
[239.83912715607806,null,18,18,"H2S",{"$f":"F24+5","v":383.15},-245.57166346832895,-245.48101542179378,8.2170683406414206E-3,null,null,null,null,null,18,"H2S",3.6230000000000002,4.2813091202966982,301.10000000000002,247.82414881528655]
[222.39722130493558,null,19,19,"NH3",388.15,-239.91627741068513,-239.90041518337816,2.5161025513792699E-4,null,null,null,null,null,19,"NH3",2.9,4.6843036423482571,558.29999999999995,222.39722130493558]
[228.44573635213538,null,20,20,"Methanol",393.15,-234.44151562038243,-234.48396282126996,1.8017648631857112E-3,null,null,null,null,null,20,"Methanol",3.6259999999999999,6.7668989210083828,481.8,228.44573635213538]
[221.54138805513452,null,21,21,"Ethanol",398.15,-229.1389676551909,-229.2250572701048,7.4114217960239938E-3,null,null,null,null,null,21,"Ethanol",4.53,7.6769528865373218,362.6,221.54138805513452]
[335.0829323226493,null,22,22,"Wasser",403.15,-224.00073679039502,-224.11743782627605,1.3619131775703503E-2,null,null,null,null,null,22,"Wasser",2.641,4.6005556969814352,809.1,335.0829323226493]
[null,null,null,null,null,408.15,-219.01939953583718,-219.15516274916169,1.8431650092196144E-2]
[null,null,null,null,null,413.15,-214.18797084104236,-214.33258944617745,2.0914540951220095E-2]
[null,null,null,null,null,418.15,-209.49987231514839,-209.64435610693286,2.0875566088417091E-2,null,null,null,null,null,null,"B speichern"]
[41.1456431386015,null,null,null,null,423.15,-204.94890316221645,-205.08536466504199,1.862174175340487E-2]
[null,null,null,null,null,428.15,-200.5292135659578,-200.65076497726767,1.4774745591420306E-2]
[null,null,null,null,null,433.15,-196.23528028714233,-196.33594012025793,1.0132402002860421E-2]
[null,null,null,null,null,438.15,-192.06188426267735,-192.13649271412231,5.566421027014835E-3]
[null,null,null,null,null,443.15,-188.00409001797379,-188.04823219063789,1.9485314075068086E-3]
[null,null,null,null,null,448.15,-184.0572267241229,-184.0671629310267,9.8728207635167653E-5]
[null,null,null,null,null,453.15,-180.21687074905265,-180.18947320518345,7.5062541006469064E-4]
[null,null,null,null,null,458.15,-176.47882956734418,-176.41152485014976,4.5299249566205409E-3]
[null,null,null,null,null,463.15,-172.83912690722511,-172.72984363105775,1.1942834449871596E-2]
[null,null,null,null,null,468.15,-169.29398902544094,-169.14111023267947,2.3371925276204519E-2]
[null,null,null,null,null,473.15,-165.83983201160692,-165.64215183430056,{"$f":"(G43-H43)^2","v":3.9077452499871074E-2}]
[null,null,null,null,null,null,null,null,{"$f":"SUM(I23:I43)","v":0.34486313141692015}]
[]
[null,"Ergebnisse"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["2023-02-20","sigma und eps aus tk und pk, aus lit und virial anzeigen. Startwert manuel wählen"]

{"sheet":"Viskosität","index":23,"n_rows":34,"n_cols":65,"rows_kept":34,"cut":false,"hidden":false,"merged":[]}
["Berechnung der Lennard-Jones Parameter sigma aus der Viskosität nach Poling Prausnitz S."]
[]
[1,null,null,null,5,null,null,null,null,null,null,null,null,null,15,null,null,null,null,null,null,null,null,null,null,20]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Poling, Prausnitz, O'Connell",null,null,"The Properties Gases and Liquids 5. Auflage"]
[null,null,null,null,null,null,null,null,"T [°C]",0,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Seite","Gleichung","Formel"]
[null,null,null,null,null,null,null,null,"T[K]",{"$f":"J5+273.15","v":273.14999999999998}]
[null,null,null,null,null,null,null,null,null,null,null,null,"Nr.","Name","Visc. Chemcad","Visc. Poling Gl. 9-3.9","eps/k Poling Anhang B","sigma Poling Anhang B","weitere Berechnungen aus poling ",null,null,null,null," ","9.3","9-3.8",null,null,"ideale Stoffe"]
[null,null,1,"H2",null,"Vapor Viscosity (Pascal-sec)  ",null,null,null,null,null,null,1,"H2",8.3447085503458679E-6,7.3189126536405149E-6,59.7,2.827,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,59.7]
[null,null,2,"He",null,"Stoff (Tabellen) Nr.",null,2,null,null,null,null,2,"He",1.8712325285733577E-5,2.2237114121856276E-10,10.220000000000001,2.5510000000000002]
[null,null,3,"Ne",null,"Stoff (Tabellen) Name",null,"He",null,null,null,null,3,"Ne",2.9782488371078845E-5,3.8740204968831059E-6,32.799999999999997,2.82,null,null,null,null,null,null,"9.4",null,null,null,"dimensionslose Temperatur, k=Boltzmannkonstante"]
[null,null,4,"Ar",null,null,null,null,null,null,null,null,4,"Ar",2.1094775131002358E-5,3.9373909347495636E-5,93.3,3.5419999999999998]
[null,null,5,"Kr",null,"Gleichung Nr.",null,102,null,"Chemcad",null,null,5,"Kr",2.3550577745036877E-5,9.2404747214095331E-5,178.6,3.6549999999999998]
[null,null,6,"Xe",null,"Tmin ",null,20,"K","Chemcad",null,null,6,"Xe",2.1319745134029183E-5,1.0369255040611719E-4,231,4.0469999999999997,null,null,null,null,null,null,"9.7","9-4.7",null,null,"Chung, Index k statt c"]
[null,null,7,"O2",null,"Vismin η",null,3.5304589999999998E-6,"Ps","Chemcad",null,null,7,"O2",1.9018331217251854E-5,4.3137271047260242E-5,106.7,3.4670000000000001]
[null,null,8,"N2",null,"Tmax",null,2000,"K","Chemcad",null,null,8,"N2",1.6579706797916698E-5,1.8885847645458625E-5,71.400000000000006,3.798]
[null,null,9,"F2",null,"Vismax η",null,7.5606589999999995E-5,"Pa.s","Chemcad",null,null,9,"F2",2.1499128456056473E-5,5.302348238526768E-5,112.6,3.3570000000000002,null,null,null,null,null,null,"9.7 ","9-4.8",null,null,"Chung, Index k statt c"]
[null,null,10,"Cl2",null,"Viskosität η",null,1.8712325285733577E-5,"Pa.s","Chemacd T = 298.15 K ",null,null,10,"Cl2",1.2303107096854321E-5,7.4182137248107928E-5,316,4.2169999999999996]
[null,null,11,"Br2",null,"eps/k ",null,10.220000000000001,"K","Poling Anhang B",null,null,11,"Br2",1.4277034142948074E-5,1.0777996938097667E-4,507.9,4.2960000000000003]
[null,null,12,"CO",null,"sigma ",null,2.5510000000000002,"Å ","Poling Anhang B",null,null,12,"CO",1.6506671013916683E-5,2.9694304647566841E-5,91.7,3.69,null,null,null,null,null,null,"9.7",null,null,null,"9-4.1 und 9-4.7"]
[null,null,13,"CO2",null,"Omegav",null,609847.05317694694,null,"Poling Gl. 9-4.3",null,null,13,"CO2",1.3758020355223859E-5,5.9864764297776904E-5,195.2,3.9409999999999998]
[null,null,14,"Methan",null,"Viskosität η",null,2.2237114121856276E-10,"Pa.s","Poling Gl. 9-3.9",null,null,14,"Methan",1.0337212281796721E-5,3.4500733743511349E-5,148.6,3.758]
[null,null,15,"Ethan",null,null,null,null,null,null,null,null,15,"Ethan",8.638698078594258E-6,4.0348729089188742E-5,215.7,4.4429999999999996,null,null,null,null,null,null,"9.4","9-3.9",null,null,"Chapman-Enskog",null,null,"Kollisionsintegral nach Neufeld",null,null,"ok"]
[null,null,16,"Propan",null,"9-4.3",null,null,null,null,null,null,16,"Propan",7.6024045357717786E-6,3.7832730814127747E-5,237.1,5.1180000000000003]
[null,null,17,"Benzol",null,null,null,null,null,null,null,null,17,"Benzol",6.9371073183363988E-6,4.8926628032903595E-5,412.3,5.3490000000000002]
[null,null,18,"H2S",null,null,null,null,null,null,null,null,18,"H2S",1.1502637037707523E-5,6.9316748599876273E-5,301.10000000000002,3.6230000000000002,null,null,null,null,null,null,"9.4a",null,null,null,"aus 9-3.9"]
[null,null,19,"NH3",null,"9-3.9",null,null,null,null,null,null,19,"NH3",9.2147047584969819E-6,7.6750502754385522E-5,558.29999999999995,2.9]
[null,null,20,"Methanol",null,null,null,null,null,null,null,null,20,"Methanol",8.7202100652744501E-6,6.7921547093012524E-5,481.8,3.6259999999999999]
[null,null,21,"Ethanol",null,null,null,null,null,null,null,null,21,"Ethanol",8.2115067757941956E-6,5.2282460124560711E-5,362.6,4.53,null,null,null,null,null,null,"9.5","9-4.3",null,null,null,null,null,"Chung",null,null,"ok"]
[null,null,22,"Wasser",null,"9-4.1",null,null,null,null,null,null,22,"Wasser",8.2556523275166968E-6,9.1970634427974702E-5,809.1,2.641]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"9.6","9-4.5",null,null,"Kim und Ross",null,null,null,null,null,"ok"]
[]
[null,"2024-01-01","alle funktionen aus poling für eps und sigma darstellen"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"9.7",null,null,null,"Zusamenfassung aus 9-4.5 und 9-3.9 (Chung), Tr <= 1,4 "]

{"sheet":"TkVk","index":24,"n_rows":31,"n_cols":10,"rows_kept":31,"cut":false,"hidden":false,"merged":[]}
["σ aus Vk und ε aus Tk",null,null,null,5,null,null,null,null,10]
["2023-03-02"]
["ID"]
["Stoff-Nr.",5]
["Name","Kr"]
[null,null,null,null,null,null,null,null,null,298]
["Lfd. Nr","Stoffname","σ Poling [Å]","ε/k Poling  [K]","Tk [K]","pK [bar_abs]","Vk [m³/kmol]","σ (Vk) [Å]","ε/k (Tk) [K]"]
[1,"H2",{"$f":"TblDat(B8,C30,C31)","v":2.827},{"$f":"TblDat(B8,D30,D31)","v":59.7},{"$f":"TblDat(B8,E30,E31)","v":33.26999},12.95947,6.5001000000000003E-2,3.2527838194701277]
[2,"He",2.5510000000000002,{"$f":"TblDat(B9,183,3)","v":10.220000000000001},5.1999870000000001,1,5.7299999999999997E-2,3.1188900312726457,4.1292678472167079]
[3,"Ne",2.82,32.799999999999997,44.4,null,4.1700000000000001E-2,2.8053940610899919,35.257682839672832]
[4,"Ar",3.5419999999999998,93.3,150.86000000000001,48.980499999999999,7.46E-2,3.4056090984623388,119.7967124593028]
[5,"Kr",3.6549999999999998,178.6,209.35,102,9.1200000000000003E-2,3.6414984915475994,166.24315095688078]
[6,"Xe",4.0469999999999997,231,289.74,15,0.11799999999999999,3.9680383184029302,230.08020328754068]
[7,"O2",3.4670000000000001,106.7,154.58000000000001,6.8447979999999996E-7,7.3400010000000002E-2,3.3872498169260252,122.75073453505917]
[8,"N2",3.798,71.400000000000006,126.2,1500,8.8599990000000003E-2,3.6065593154975017,100.21440482807908]
[9,"F2",3.3570000000000002,112.6,144.31,2.735943E-5,6.6199999999999995E-2,3.2726622335904261,114.59541014849519]
[10,"Cl2",4.2169999999999996,316,417.15,8.8616585036469631E-6,0.1237,4.0309284385910731,331.25545938219642]
[11,"Br2",4.2960000000000003,507.9,584.15,59.7,0.13500000000000001,4.150111622584344,463.86881600889376]
[12,"CO",3.69,91.7,132.94999999999999,2.827,9.3100000000000002E-2,3.6666130678733451,105.57452553005636]
[13,"CO2",3.9409999999999998,195.2,304.2,12.950081919695013,9.2863000000000001E-2,3.6634991197142992,241.5627729691098]
[14,"Methan",3.758,148.6,190.63,6.3205707001897084E-6,9.9418000000000006E-2,3.7477464000200915,151.3777495433971]
[15,"Ethan",4.4429999999999996,215.7,305.43,48.838639999999998,0.1467,4.2666978882644395,242.53950607480346]
[16,"Propan",5.1180000000000003,237.1,369.82,42.495699999999999,0.20083000000000001,4.7375963018025864,293.67108711188752]
[17,"Benzol",5.3490000000000002,412,288.89999999999998,48.95,0.25600000000000001,5.1368298041690936,229.41316604462793]
[18,"H2S",3.6230000000000002,301.10000000000002,373.55,90.0779,9.8489999999999994E-2,3.7360490332182565,296.63305010720239]
[19,"NH3",2.9,558.29999999999995,405.65,112.7848,7.2470000000000007E-2,3.3728829916608105,322.1234018899388]
[20,"Methanol",3.6259999999999999,481.8,512.64,80.97,0.11799999999999999,3.9680383184029302,407.08330024616845]
[21,"Ethanol",4.53,362.6,513.91999999999996,61.48,0.16700000000000001,4.4550646631273692,408.09973794965452]
[22,"Wasser",2.641,809.1,647.35,221.1823,6.3493999999999995E-2,3.2274492170409208,514.05542761851825]
[null,"Tbl Zeile",182,183,11,12,13]
[null,"Tbl Spalte",3,3,2,2,2]

{"sheet":"Enthalpie","index":25,"n_rows":1,"n_cols":1,"rows_kept":1,"cut":false,"hidden":false,"merged":[]}
["eps aus Sublimationsenthalpie"]

{"sheet":"Info","index":26,"n_rows":169,"n_cols":14,"rows_kept":169,"cut":false,"hidden":false,"merged":[]}
["Diese Tabellen entstehen in Chemcad 6.5 mit der  Component List und Klick auf Print"]
["Diese Datei sowohl für das Buch also auch für Kunden"]
["Die Liste ist bei einigen Stoffen nicht vollständig zB Heat of Fusion s. H2"]
["alte Liste ist LJ Par Virial SRK. Xlsm"]
["2022-12-31","Formatieren, d.h. allgemeine Texte in alle Tabellen schreiben"]
["2023-01-13","in 2023 kopieren"]
["2023-01-20","alle Virialdaten fertig",null,null,null,null,null,"E:\\Buch3\\Arbeitsordner2023",null,null,null,null,null,"weitere Dateien"]
["2023-01-21","Viskosität progrm",null,null,null,null,null,"E:\\Buch3\\Arbeitsordner2023\\LJ ParameterView2023.xlsm",null,null,null,null,null,"LJPar Mourits2023.xlsx"]
["2023-01-26","Visk."]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"LJ Par Virial SRK 2023.xlsm"]
["2023-02-16","Reihenfolge der Components mit LJ Par Virial SRK 2023 gleich setzen, also auch den CC6 Job LJ Parameter."]
[null,"CC Dauerlizenz anfragen, werde schließlich 80."]
["2023-03-04","Benzol, Methanol, Ethanol, Wasser überarbeitet"]
["2023-07-07","Virial= f(T) Daten in Tabelle Virial wird in jede Component Tabelle übertragen"]
[null,"Virial: Component wählen, dann (1) evtl. (2), dann (3)"]
[]
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["Lennard-Jones Literatur"]

{"sheet":"Literatur","index":27,"n_rows":188,"n_cols":12,"rows_kept":188,"cut":false,"hidden":false,"merged":[]}
["LJ Daten aus Poling, Prausnitz: the properties of gases and liquids 2000",null,null,"Appendix B","Daten aus Poling: The properties of Gases and Liquids",null,"O-Connell, Poling, Prausnitz: The properties of Gases and Liquids"]
[null,"Formel","Summenformel","Name","CC- Nr","b0 [cm³/mol] ","σ [Å]","ε/k [K]","3-77",null,"Anm.: b0 ist nicht der Virialkoeffizient"]
[1,"Ar",null,"Argon",98,56.08,3.5419999999999998,93.3]
[2,"He",null,"Helium",212,20.95,2.5510000000000002,10.220000000000001]
[3,"Kr",null,"Krypton",971,61.62,3.6549999999999998,178.6]
[4,"Ne",null,"Neon",107,28.3,2.82,32.799999999999997]
[5,"Xe",null,"Xenon",994,83.66,4.0469999999999997,231]
[6,"Air",null,"Air",475,64.5,3.7109999999999999,78.599999999999994]
[7,"AsH3",null,"Arsine",1218,89.88,4.1449999999999996,259.8]
[8,"BCl3",null,"BoronTrichloride",629,170.1,5.1269999999999998,337.7]
[9,"BF3",null,"BoronTrifluoride",630,93.35,4.1980000000000004,186.3]
[10,"B(OCH3)3",null,"Methyl borate",1045,210.3,5.5030000000000001,396.7]
[11,"Br2",null,"Bromine",99,100.1,4.2960000000000003,507.9,"?"]
[12,"CCl4",null,"Carbon Tetra-Cl",100,265.5,5.9470000000000001,322.7]
[13,"CF4",null,"Carbon Tetra-F",218,127.9,4.6619999999999999,134]
[14,"CHCl3",null,"Chloroform",112,197.5,5.3890000000000002,340.2]
[15,"CH2Cl2",null,"Dichloromethane",222,148.30000000000001,4.8979999999999997,356.3]
[16,"CH3Br",null,"Methyl bromid",224,88.14,4.1180000000000003,449.2]
[17,"CH3Cl",null,"Methyl chlorid",115,92.31,4.1820000000000004,350]
[18,"CH3OH","CH4O","Methanol",117,60.17,3.6259999999999999,481.8]
[19,"CH4",null,"Methane",2,66.98,3.758,148.6]
[20,"CO",null,"Carbon monoxid",48,63.41,3.69,91.7]
[21,"COS",null,"Carbonyl Sulfide",219,88.91,4.13,336]
[22,"CO2",null,"Carbon dioxide",49,77.25,3.9409999999999998,195.2]
[23,"CS2",null,"Carbon disulfide",102,113.7,4.4829999999999997,467]
[24,"C2H2",null,"Acetylene",65,82.79,4.0330000000000004,231.8]
[25,"C2H4",null,"Ethylene",22,91.06,4.1630000000000003,224.7]
[26,"C2H6",null,"Ethane",3,110.7,4.4429999999999996,215.7]
[27,"C2H5Cl",null,"Ethyl chlorid",115,148.30000000000001,4.8979999999999997,300]
[28,"C2H5OH","C2H6O","Ethanol",134,117.3,4.53,362.6]
[29,"C2N2",null,"Cyanogen",237,104.7,4.3609999999999998,348.6]
[30,"CH3OCH3","C2H6O","Dimethyl Ether",133,100.9,4.3070000000000004,395]
[31,"CH2CHCH3","C3H6","Propylene",23,129.19999999999999,4.6779999999999999,289.89999999999998]
[32,"CH3CCH","C3H45","Propyne",66,136.19999999999999,4.7610000000000001,251.8]
[33,"C3H6"," ","Cyclopropane",258,140.19999999999999,4.8070000000000004,248.9]
[34,"C3H8"," ","Propane",4,169.2,5.1180000000000003,237.1]
[35,"n-C3H7OH","C3H6O","n-Propanol",146,118.8,4.5490000000000004,576.6]
[36,"CH3COCH3","C3H6O","Acetone",140,122.8,4.5999999999999996,560.20000000000005]
[37,"CH3COOCH3","C3H4O2","Methyl acetate",142,151.80000000000001,4.9359999999999999,469.8]
[38,"n-C4H10","C4H10","n-Butane",6,130,4.6870000000000003,531.4,"n-Butan",5.2698,297.33600000000001,"diese Werte ergeben sich aus einer Regressionsanalyse der hier markierten Alkane"]
[39,"i-C4H10","C4H10","I-butane",5,185.6,5.2779999999999996,330.1,"n-Butan",540.5,305,"Werte aus Mourits Zeile 133"]
[40,"C2H5OC2H5","C4H10O","Diethyl Ether",162,231,5.6779999999999999,313.8]
[41,"CH3COOC2H5","C4H8O2","Ethyl acetate",142,178,5.2050000000000001,521.29999999999995]
[42,"n-C5H12","C5H12","N-Pentane",7,244.2,5.7839999999999998,341.1]
[43,"C(CH3)4","C5H12","Neopentane",9,340.9,6.4640000000000004,193.4]
[44,"C6H6"," ","Benzene",40,193.2,5.3490000000000002,412.3]
[45,"C6H12"," ","Cyclohexane",38,298.2,6.1820000000000004,297.10000000000002]
[46,"n-C6H14","C6H14","N-Hexane",10,265.7,5.9489999999999998,399.3]
[47,"Cl2",null,"Chlorine",105,94.65,4.2169999999999996,316]
[48,"F2",null,"Fluorine",208,47.75,3.3570000000000002,112.6]
[49,"HBr",null,"Hydrogen bromide",209,47.58,3.3530000000000002,449]
[50,"HCN",null,"Hydrogen cyanide",113,60.37,3.63,569.1]
[51,"HCl",null,"Hydrogen chloride",104,46.98,3.339,344.7]
[52,"HF",null,"Hydrogen fluoride",210,39.369999999999997,3.1480000000000001,330]
[53,"HJ",null,"Hydrogen iodide",106,94.24,4.2110000000000003,288.7]
[54,"H2",null,"Hydrogen",1,28.51,2.827,59.7]
[55,"H2O",null,"Water",62,23.25,2.641,809.1]
[56,"H2O2",null,"HydrogenPeroxide",959,93.24,4.1959999999999997,289.3]
[57,"H2S",null,"Hydrogen Sulfide",50,60.02,3.6230000000000002,301.10000000000002]
[58,"Hg",null,"Mercury",969,33.03,2.9689999999999999,750]
[59,"HgBr2",null,"Mercuric bromide",null,165.5,5.08,686.2]
[60,"HgCl2",null,"Mercuric chloride",null,118.9,4.55,750]
[61,"HgJ2",null,"Mercuric jodid",null,224.6,5.6520000000000001,695.6]
[62,"I2",null,"Iodide",null,173.4,5.16,474.2]
[63,"NH3",null,"Ammonia",63,30.78,2.9,558.29999999999995]
[64,"NO",null,"Nitric Oxide",108,53.74,3.492,116.7]
[65,"NOCl",null,"Nitrosyl chloride",207,87.75,4.1120000000000001,395.3]
[66,"N2",null,"Nitrogen",46,69.14,3.798,71.400000000000006]
[67,"N2O",null,"Nitrous Oxide",110,708,3.8279999999999998,232.4]
[68,"O2",null,"O-Xylene",47,52.6,3.4670000000000001,106.7]
[69,"PH3",null,"Phosphine",null,79.63,3.9809999999999999,251.5]
[70,"SF6",null,"Sulfur hexafluoride",953,170.2,5.1280000000000001,222.1]
[71,"SO2",null,"Sulfur Dioxide",51,87.75,4.1120000000000001,335.4]
[72,"SiF4",null,"Silicon TetraF",952,146.69999999999999,4.88,171.9]
[73,"SiH4",null,"Silicon hydride",null,85.97,4.0839999999999996,207.6]
[74,"SnBr2",null,"Stannic bromide",null,329,6.3879999999999999,563.70000000000005]
[75,"UF6",null,"Uranium hexafluorid",null,268.10000000000002,5.9669999999999996,236.8]
[null,null,null,null,null,null,","]
["McQuarrie Physical Chemistry S. 663 Tabelle 16.7"]
[null,"Formel","Summenformel","Name","CC- Nr","b [cm³/mol]","σ [pm]","ε/k [K]","81-96"]
[1,"He","He","Helium",212,21.2,256,10.220000000000001]
[2,"Ne","Ne","Neon",107,26.2,275,35.6]
[3,"Ar","Ar","Argon",98,50,341,120]
[4,"Kr","Kr","Krypton",971,70.900000000000006,383,164]
[5,"Xe","Xe","Xenon",994,86.9,406,229]
[6,"H2","H2","Wasserstoff",1,31.7,293,37]
[7,"N2","N2","Stickstoff",46,63.9,370,95.1]
[8,"O2","O2","Sauerstoff",47,57.9,358,118]
[9,"CO","CO","Kohlenmonoxid",48,67,376,100]
[10,"CO2","CO2","Kohlendioxid",49,114.2,449,189]
[11,"CF4","CF4","Tetrafluiormethan",218,131,470,152]
[12,"CH4","CH4","Methan",2,68.099999999999994,378,149]
[13,"C2H4","C2H4","Ethylen",22,116.5,452,199]
[14,"C2H6","C2H6","Ethan",3,77.7,395,243]
[15,"C3H8","C3H8","Propan",4,226.3,564,242]
[16,"C(CH3)4","C5H12","Neopentan",9,519.4,744,232]
[]
["Ebert Ederer Computeranwendungen in der Chemie S.113","Formel","Summenformel","Name","CC- Nr",null,"σ [Å]","ε/k [K]","99-108"]
[1,"He","He","Helium",212,null,2.556,10.220000000000001]
[2,"H2","H2","Wasserstoff",1,null,2.9279999999999999,37]
[3,"Ne","Ne","Neon",107,null,2.7490000000000001,35.6]
[4,"Ar","Ar","Argon",98,null,3.4049999999999998,119.8]
[5,"Kr","Kr","Krypton",971,null,3.61,171]
[6,"Xe","Xe","Xenon",994,null,4.0999999999999996,221]
[7,"O2","O2","Sauerstoff",47,null,3.58,117.5]
[8,"CO","CO","Kohlenmonoxid",48,null,3.7629999999999999,100.2]
[9,"N2","N2","Stickstoff",46,null,3.698,95.05]
[10,"CH4","CH4","Methan",2,null,3.8170000000000002,148.19999999999999]
[]
[]
["Lennard-Jones Parameter aus Artikel von Frank M. Mourits und Frans A. Rummens  1976",null,null,null,null,null,null,"Mourits Rummens v77-418.pdf",null,null,"114-178"]
[]
["Lfd Nr","Formel",null,null,"CC Nr",null,"σ [pm]","ε/k [K]","114-188"]
[1,"Ne",null,null,107,null,282.2,32]
[2,"Ar",null,null,98,null,346.5,113.5]
[3,"Kr",null,null,971,null,366.2,178]
[4,"Xe",null,null,994,null,405,230.2]
[5,"N2",null,null,46,null,373.6,82]
[6,"O2",null,null,47,null,348,102.6]
[7,"CO2",null,null,49,null,394.3,200.9]
[8,"CS2",null,null,102,null,457.5,414.6]
[9,"SF6",null,null,953,null,519.9,212]
[10,"(CN)2",null,null,237,null,457.1,275.7]
[11,"F2",null,null,208,null,343.9,152.1]
[12,"Cl2",null,null,105,null,424,307.2]
[13,"Br2",null,null,99,null,426.6,437.3]
[14,"I2",null,null,213,null,463,577.4]
[15,"CH4",null,null,2,null,379,142.1]
[16,"CF4",null,null,218,null,448.6,167.3]
[17,"CCl4",null,null,100,null,561.1,515.5]
[18,"C2H6",null,null,3,null,440.7,227.9]
[19,"C3H8",null,null,4,null,511.4,237.2]
[20,"n-C4H10",null,null,6,null,540.5,305,"n-Butan"]
[21,"i-C4H10",null,null,5,null,539.20000000000005,295.8]
[22,"n-C5H12",null,null,8,null,591.6,308.3]
[23,"neo-C5H12",null,null,9,null,575.70000000000005,312.3]
[24,"n-C6H14",null,null,10,null,626.9,341.3]
[25,"n-C7H16",null,null,11,null,665,351.4]
[26,"n-C8H18",null,null,12,null,702.4,377.7]
[27,"n-C9H20",null,null,13,null,735.1,360.3]
[28,"cyclo-C6H12",null,null,38,null,577.1,394.8]
[29,"C2H4",null,null,22,null,415.5,225.6]
[30,"C3H6",null,null,23,null,477.8,271.2]
[31,"Butene-1",null,null,24,null,527.4,302.39999999999998]
[32,"i-Butene",null,null,27,null,528.20000000000005,299.60000000000002]
[33,"C2H2",null,null,65,null,407.8,221.4]
[34,"C3H4",null,null,57,null,466.7,284.7]
[35,"C6H6",null,null,40,null,545.5,401.2]
[36,"C6H5CH3",null,null,41,null,592.29999999999995,407.8]
[37,"Mesitylene",null,null,77,null,676,400.5]
[38,"N2O",null,null,110,null,377.6,248.8]
[39,"CO",null,null,48,null,369.8,104.5]
[40,"COS",null,null,219,null,442.4,286.39999999999998]
[41,"NO",null,null,108,null,348.9,117.2]
[42,"HJ",null,null,106,null,408,333.6]
[43,"HBr",null,null,209,null,385.2,281.10000000000002]
[44,"HCl",null,null,104,null,316.8,322.60000000000002]
[45,"HF",null,null,210,null,314.8,330]
[46,"H2S",null,null,50,null,373.3,302.39999999999998]
[47,"SO2",null,null,51,null,410.2,328.5]
[48,"HCN",null,null,113,null,363,569.1]
[49,"NH3",null,null,63,null,321.5,309.89999999999998]
[50,"H2O",null,null,62,null,271,506]
[51,"CHCl3",null,null,112,null,517.9,381.7]
[52,"CH2Cl2",null,null,222,null,475.2,403.5]
[53,"CH3Br",null,null,224,null,430.6,416.2]
[54,"CH3Cl",null,null,115,null,429.6,328.1]
[55,"C2H5Cl",null,null,132,null,449,402.9]
[56,"n-C3H7OH",null,null,146,null,486.7,480.2]
[57,"i-C3H7OH",null,null,145,null,473.9,456]
[58,"C2H5OH",null,null,134,null,431.7,450.2,"Ethanol"]
[59,"CH3OH",null,null,117,null,365.7,385.2,"Methanol"]
[60,"(C2H5)2O",null,null,160,null,555.29999999999995,348,"Diethylether"]
[61,"(CH3)2O",null,null,133,null,423,352.3,"Dimethylether"]
[62,"CH3CO2C2H5",null,null,155,null,565,372]
[63,"CH3CO2CH3",null,null,142,null,514.1,389.4]
[64,"(CH3)2CO",null,null,140,null,459.9,458,"Aceton"]
[65,"CH3CHO",null,null,128,null,433.2,413.5]
[66,"Si(CH3)4",null,null,null,null,616.70000000000005,315.10000000000002]
[67,"c-C5H10",null,null,null,null,542.29999999999995,368.1]
[68,"CH3J",null,null,null,null,465.6,405.5]
[69,"CH2J2",null,null,null,null,532.70000000000005,550.5]
[70,"(CH3)2SO",null,null,null,null,494,602.5]
[71,"CH3NO2",null,null,null,null,437.4,527.4]
[72,"CH3CN",null,null,null,null,437.4,491.6]
[73,"p-Xylene",null,null,null,null,637.1,408.8]
[74,"C6H5Cl",null,null,null,null,585.6,440.2]
[75,"C6H5NO2",null,null,null,null,595,534]

{"sheet":"Datensammlung","index":28,"n_rows":155,"n_cols":40,"rows_kept":155,"cut":false,"hidden":false,"merged":[]}
["Datensammlung",null,null,null,5,null,null,null,null,10,null,null,null,null,15,null,null,null,null,null,null,null,null,null,25,null,null,null,null,30,null,null,null,null,35,null,null,38]
["Nr. ","Name","σ Lit. Poling, Prausnitz: the properties of gases and liquids 2000 ","ε/k Lit. Poling, Prausnitz: the properties of gases and liquids 2000 ","σ Lit. McQuarrie Physical Chemistry S. 663 Tabelle 16.7","ε/k Lit. McQuarrie Physical Chemistry S. 663 Tabelle 16.7","σ Lit. Frank M. Mourits und Frans A. Rummens  1976","ε/k Lit. Frank M. Mourits und Frans A. Rummens  1976","σ Lit. Ebert Ederer Computeranwendungen in der Chemie S.113","ε/k Lit. Ebert Ederer Computeranwendungen in der Chemie S.113","Tk","pK","Vk","σ ber. (Vk) Gl. 9-4.8","ε/k ber. (Tk)","σ ber. (Virial)","ε/k ber. (Virial)","σ ber. Gas Visc ?","σ ber. (mittl. Dichte kubisch aus Chemcad)",null,"a (SRK)","b (SRK)","alph (SRK) ","p (SRK)","Brechungsindex n","Dipolmoment µ","Ro [Moelwyn-Hughes S. 206]","α' [Moelwyn-Hughes S. 206]","νg [Moelwyn-Hughes S. 206]","MG","ρ(fl) 20°C","R0 berechnet aus Brechungsindex flüssig Moelwyn-Hughes S. 205 Gl. 30","ϕorient (r=1)","ϕind (r=1)","ϕdisp (r=1)","B Lennard-Jones","A Moelwyn-Hughes aus σ und ε S. Lit. Poling, Prausnitz: the properties of gases and liquids 2000 ","B aus σ und ε Lit. Poling, Prausnitz: the properties of gases and liquids 2000 ","A Stoßberechnung Moelwyn-Hughes S. 173"," "]
[null,null,"[Å]","[K]","[pm]","[K]","[pm]","[K]","[Å]","[K]","[K]","[bar_abs]","[m³/kmol]","[Å]","[K]","[Å]","[K]","[Å]","[Å]",null,"[bar·l²]","[l]","bar.l²","bar","n","Asm","cm³/mol","cm³","s-1","g/mol","g/cm³","cm³/mol","erg.cm6","erg.cm6","erg.cm6","erg.cm6","erg.cm12","erg.cm6","erg.cm12"]
[1,"H2",{"$f":"TblDat(B4,$C$26,$C$27)","v":2.827},{"$f":"TblDat(B4,$D$26,$D$27)","v":59.7},{"$f":"TblDat(B4,$E$26,$E$27)","v":293},{"$f":"TblDat(B4,$F$26,$F$27)","v":37},{"$f":"TblDat(B4,$G$26,$G$27)","v":0},{"$f":"TblDat(B4,$H$26,$H$27)","v":0},{"$f":"TblDat(B4,$I$26,$I$27)","v":2.9279999999999999},{"$f":"TblDat(B4,$J$26,$J$27)","v":37},{"$f":"TblDat(B4,$K$26,$K$27)","v":33.26999},{"$f":"TblDat(B4,$L$26,$L$27)","v":12.95947},{"$f":"TblDat(B4,$M$26,$M$27)","v":6.5001000000000003E-2},{"$f":"TblDat(B4,$N$26,$N$27)","v":3.2527838194701277},{"$f":"TblDat(B4,$O$26,$O$27)","v":26.419431430159612},{"$f":"TblDat(B4,$P$26,$P$27)","v":2.9578724762073501},{"$f":"TblDat(B4,$Q$26,$Q$27)","v":41.1456431386015},{"$f":"TblDat(B4,$R$26,$R$27)","v":3.2527838194701268},{"$f":"TblDat(B4,$S$26,$S$27)","v":3.9436851084273075},null,{"$f":"TblDat($B4,$U$26,$U$27)","v":0.25240764690972578},{"$f":"TblDat($B4,219,2)","v":1.8493529848315714E-2},{"$f":"TblDat($B4,220,2)","v":2.526988754368335E-2},{"$f":"TblDat($B4,221,2)","v":25.237685816551725},{"$f":"TblDat($B4,$Y$26,$Y$27)","v":1.0001371999999999},0,{"$f":"TblDat(B4,$AA$26,$AA$27)","v":2.0369999999999999},{"$f":"TblDat($B4,AB$26,AB$27)","v":8.1E-25},{"$f":"TblDat($B4,AC$26,AC$27)","v":2820000000000000},{"$f":"TblDat($B4,AD$26,AD$27)","v":2.0158},{"$f":"TblDat($B4,AE$26,AE$27)","v":8.2703398730215316E-2},{"$f":"TblDat($B4,AF$26,AF$27)","v":2.0369999999999999},null,null,{"$f":"Dispersion(AC4,AC4,AB4,AB4)","v":9.1946761827527248E-60},{"$f":"SUM(AG4:AI4)","v":9.1946761827527248E-60},{"$f":"Asigmaeps(C4,D4)","v":8.5906753515073418E-105},{"$f":"Bsigmaeps(C4,D4)","v":1.6829548155586125E-59},{"$f":"AStoss(V4,K5)","v":1.5324009871617685E-104}]
[2,"He",{"$f":"TblDat(B5,$C$26,$C$27)","v":2.5510000000000002},{"$f":"TblDat(B5,$D$26,$D$27)","v":10.220000000000001},{"$f":"TblDat(B5,$E$26,$E$27)","v":256},{"$f":"TblDat(B5,$F$26,$F$27)","v":10.220000000000001},{"$f":"TblDat(B5,$G$26,$G$27)","v":0},{"$f":"TblDat(B5,$H$26,$H$27)","v":0},{"$f":"TblDat(B5,$I$26,$I$27)","v":2.556},{"$f":"TblDat(B5,$J$26,$J$27)","v":10.220000000000001},{"$f":"TblDat(B5,$K$26,$K$27)","v":5.1999870000000001},{"$f":"TblDat(B5,$L$26,$L$27)","v":2.2749999999999999},{"$f":"TblDat(B5,$M$26,$M$27)","v":5.7299999999999997E-2},{"$f":"TblDat(B5,$N$26,$N$27)","v":3.1188900312726457},{"$f":"TblDat(B5,$O$26,$O$27)","v":4.1292678472167079},{"$f":"TblDat(B5,$P$26,$P$27)","v":2.6011352091368907},{"$f":"TblDat(B5,$Q$26,$Q$27)","v":29.46665624027008},{"$f":"TblDat(B5,$R$26,$R$27)","v":4.59414019328959},{"$f":"TblDat(B5,$S$26,$S$27)","v":3.9136829941372291},null,{"$f":"TblDat($B5,$U$26,$U$27)","v":3.512428746910614E-2},{"$f":"TblDat($B5,219,2)","v":1.6465512001999496E-2},{"$f":"TblDat($B5,220,2)","v":7.5211061801429873},{"$f":"TblDat($B5,221,2)","v":24.93200186476184},{"$f":"TblDat($B5,$Y$26,$Y$27)","v":1.0000359999999999},0,{"$f":"TblDat(B5,$AA$26,$AA$27)","v":0.51715999999999995},{"$f":"TblDat($B5,AB$26,AB$27)","v":"0,20364*1E--24"},{"$f":"TblDat($B5,AC$26,AC$27)","v":5598000000000000},4.0026000000000002,0.16421699759775765,0.51715999999999995,null,null,{"$f":"Dispersion(AC5,AC5,AB5,AB5)","v":{"$error":"#VALUE!"}},{"$f":"SUM(AG5:AI5)","v":{"$error":"#VALUE!"}},{"$f":"Asigmaeps(C5,D5)","v":4.2866662644850905E-106},{"$f":"Bsigmaeps(C5,D5)","v":1.5554531023731662E-60},{"$f":"AStoss(V5,K6)","v":8.2219502439669165E-104}]
[3,"Ne",2.82,32.799999999999997,275,35.6,282.2,32,2.7490000000000001,35.6,44.4,26.53,4.1700000000000001E-2,2.8053940610899919,35.257682839672832,2.632135218195939,24.789580680937412,0.98868464620833196,3.3786830064330196,{"$f":"TblDat(B6,$T$26,$T$27)","v":2169.0990000000002},0.2195902728570634,1.2055912938080128E-2,1.756831315656673E-2,25.07564244486607,1.0000072499999999,0,0.99697999999999998,3.9256000000000002E-25,4032000000000000,20.18,0.8279365940945258,0.99697999999999998,null,null,{"$f":"Dispersion(AC6,AC6,AB6,AB6)","v":3.0878052850628576E-60},3.0878052850628576E-60,4.5814865670679983E-105,9.1098613599245595E-60,8.029073442384934E-104]
[4,"Ar",3.5419999999999998,93.3,341,120,346.5,113.5,3.4049999999999998,119.8,150.86000000000001,48.980499999999999,7.46E-2,3.4056090984623388,119.7967124593028,3.5229669273659878,111.73029167383534,2.0540222916205861,4.0819600084298129,7709.18,1.3731228704185439,2.2187341715370328E-2,0.57480970877798454,24.567158194734628,1.2330000000000001,0,4.1429999999999998,1.6264E-24,1981000000000000,{"$f":"TblDat($B7,AD$26,AD$27)","v":39.948},1.6389698246228006,4.1429999999999998,null,null,2.6040930568815849E-59,2.6040930568815849E-59,2.0091279713371075E-103,1.0174574564780976E-58,1.27815925391513E-102]
[5,"Kr",3.6549999999999998,178.6,383,164,366.2,178,3.61,171,209.35,55.02,9.1200000000000003E-2,3.6414984915475994,166.24315095688078,3.908101437413698,153.31652901690049,1.5728141052826141,4.3521334513983385,1640.14,2.3540178544966124,2.7409856514611024E-2,0.77419634672490756,23.701523953702598,0,0,6.2560000000000002,2.4558999999999999E-24,1612000000000000,83.8,3.4381113273102706,6.2560000000000002,null,null,4.8317414688048304E-59,4.8317414688048304E-59,5.6062608911848965E-103,2.3515218381951901E-58,4.120277047836591E-102]
[6,"Xe",4.0469999999999997,231,406,229,405,230.2,4.0999999999999996,221,289.74,58.404000000000003,0.11799999999999999,3.9680383184029302,230.08020328754068,4.2080694286205524,216.37199444605272,1.8429311096341283,4.7436762562756662,2294.96,4.2477478367375712,3.5737177269514267E-2,0.98131197854666241,21.670838783346873,1.0007055,0,10.1553,3.9988999999999998E-24,1263000000000000,131.29,0,10.1553,null,null,1.00369493192463E-58,1.00369493192463E-58,2.462372241019091E-102,5.6047272168271213E-58,6.3522152117139623E-102]
[7,"O2",3.4670000000000001,106.7,358,118,348,102.6,3.58,117.5,154.58000000000001,50.763800000000003,7.3400010000000002E-2,3.3872498169260252,122.75073453505917,3.5432392428009445,111.85694228848196,1.3811652248013933,3.9350813608915374,7264.0659999999998,1.391031259458543,2.1935804227957125E-2,0.59140979767622603,24.527782854557326,1.0002705999999999,0,3.9649999999999999,1.561E-24,2022000000000000,31.998999999999999,1.3128415795059827,3.9649999999999999,null,null,2.4485233513619857E-59,2.4485233513619857E-59,1.7772715680565492E-103,1.0233654329608379E-58,7.3614694768129127E-103]
[8,"N2",3.798,71.400000000000006,370,95.1,373.6,82,3.698,95.05,126.2,33.938800000000001,8.8599990000000003E-2,3.6065593154975017,100.21440482807908,3.7307553980923029,86.743841200734266,1.432280262012976,4.2838800084135276,6297.3910000000005,1.3867770165312374,2.6786579200539871E-2,0.4466282600230479,24.855844001435987,1.000297,0,4.4020000000000001,0,1919000000000000,28.013999999999999,1.1493466673421233,4.4020000000000001,null,null,0,0,3.5522294507786789E-103,1.1835081369956907E-58,1.8717867237253915E-102]
[9,"F2",3.3570000000000002,112.6,0,0,343.9,152.1,0,0,144.31,52.152000000000001,6.6199999999999995E-2,3.2726622335904261,114.59541014849519,3.4477055912984529,99.135649509647692,1.3537387275448869,3.8103990884563137,7037.5460000000003,1.1800659885300975,1.9933329308534947E-2,0.55507879714888764,24.638805903716541,1.0002059999999999,0,0,0,null,37.997,1.5589250131719372,0,null,null,null,null,1.2737897782689619E-103,8.8999939620384002E-59,1.659214479720227E-102]
[10,"Cl2",4.2169999999999996,316,0,0,424,307.2,0,0,417.15,77.110339999999994,0.1237,4.0309284385910731,331.25545938219642,4.6088015373147293,282.63376334565692,2.0772195429356994,4.6857192204910429,26824.399999999998,6.6689319501965132,3.8970323663819702E-2,1.2188689073666346,17.958161537899546,1.0007729999999999,0,11.43,4.4999999999999997E-24,1191000000000000,70.906000000000006,2.9091016918169701,11.43,null,null,1.1985442752012187E-58,{"$f":"SUM(AG13:AI13)","v":1.1985442752012187E-58},5.5191674266730953E-102,9.8141335315067639E-58,3.3943087764063363E-101]
[11,"Br2",4.2960000000000003,507.9,0,0,426.6,437.3,0,0,584.15,103.351,0.13500000000000001,4.150111622584344,463.86881600889376,4.2920834721338927,460.68813456021496,2.3738899587161577,4.9395422165385883,40737.279999999999,9.7570490230395137,4.0715903917808882E-2,1.4327307862873497,12.396423414569627,1.0011319999999999,0,16.329999999999998,6.4299999999999998E-24,996000000000000,159.81,6.5566177949576891,16.329999999999998,null,null,2.0464379318531703E-58,2.0464379318531703E-58,1.1083904089867282E-101,1.763222515686319E-57,9.2052498328946851E-102]
[12,"CO",3.69,91.7,376,100,369.8,104.5,3.7629999999999999,100.2,132.94999999999999,34.987520000000004,9.3100000000000002E-2,3.6666130678733451,105.57452553005636,3.8122063457474389,86.467690879636663,1.4352136540904408,4.3318363345909843,6882.8119999999999,1.4929591736822767,2.7373451758349227E-2,0.47510313486794981,24.784010787963012,1.000332,{"$f":"TblDat(B15,$Z$26,$Z$27)","v":3.7359000000000001E-31},4.8899999999999997,1.9260000000000001E-24,1820000000000000,28.01,1.1491825570162373,4.8899999999999997,{"$f":"Orient(Z15,Z15)","v":2.5483227303914416E-63},{"$f":"Induktion(Z15,Z15,AB15,AB15)","v":5.3762166816120004E-72},3.3550673787187008E-59,3.3553222109922775E-59,3.2272232046837714E-103,1.2784119060188071E-58,4.3029706517513063E-102]
[13,"CO2",3.9409999999999998,195.2,449,189,394.3,200.9,0,0,304.2,73.815250000000006,9.2863000000000001E-2,3.6634991197142992,241.5627729691098,4.6694889353840594,176.2609368528496,1.7461652631089792,4.4593982306376336,26173.81,3.7047314535484968,2.9687081015974E-2,1.012837646513244,21.891054515620205,1.0005580000000001,0,6.5949999999999998,2.594E-24,1567000000000000,44.01,1.8056238605599642,6.5949999999999998,null,null,5.2399390187359305E-59,5.2399390187359305E-59,1.5132138434353065E-102,4.0388869431185719E-58,3.7303720920277459E-102]
[14,"Methan",3.758,148.6,378,149,379,142.1,3.8170000000000002,148.19999999999999,190.63,46.001539999999999,9.9418000000000006E-2,3.7477464000200915,151.3777495433971,3.9823261373007646,139.31591412403048,1.5728406812260958,4.4299002234391196,9121.2950000000001,2.3345035193937789,2.9851988107470352E-2,0.70749401729046646,23.935732053190545,1.000454,0,6.8550000000000004,2.6989999999999999E-24,1538000000000000,16.042999999999999,0.65820548954700075,6.8550000000000004,null,null,5.5677457797216829E-59,5.5677457797216829E-59,6.5109354930445676E-103,2.3115470520168284E-58,6.1107659040050524E-102]
[15,"Ethan",4.4429999999999996,215.7,395,243,440.7,227.9,0,0,305.43,48.838639999999998,0.1467,4.2666978882644395,242.53950607480346,5.0113765059780313,196.38905491022135,4.1217413187308924,4.8909833395970299,17566.07,5.6447437412714523,4.5050800611191578E-2,1.0173824024835232,20.450690558533534,1.0007629,0,10.99,4.3259999999999999E-24,1215000000000000,30.07,1.2336993748474923,10.99,null,null,1.1299691871201794E-58,1.1299691871201794E-58,7.048702451781903E-102,9.1632871982367659E-58,3.8378797449591191E-101]
[16,"Propan",5.1180000000000003,237.1,564,242,511.4,237.2,0,0,369.82,42.495699999999999,0.20083000000000001,4.7375963018025864,293.67108711188752,5.8111849964730329,225.16595767167465,2.3496576674382874,5.3638845787412111,22298.010000000002,9.510869204102768,6.2690219396677821E-2,1.1680104765628092,15.980803841201503,1.3656999999999999,0,15.125,5.9959205792416176E-24,{"$f":"vgR0(AA19)","v":1034376856205048.5},44.095999999999997,0.58120000000000005,{"$f":"TblDat($B19,AF$26,AF$27)","v":15.125},null,null,1.8480249526072518E-58,1.8480249526072518E-58,4.2293946014058523E-101,2.3532957868915056E-57,1.124184558524266E-100]
[17,"Benzol",5.3490000000000002,412.3,0,0,545.5,401.2,0,0,288.89999999999998,48.95,0.25600000000000001,5.1368298041690936,229.41316604462793,5.1536596014860763,171.40738477399492,2.834574981399375,6.0086866742957268,40627.43,5.0387962289393915,4.2515689692752795E-2,0.97294990376348045,21.174725836261182,1.5011000000000001,0,25.11,9.8900000000000003E-24,803000000000000,78.114000000000004,0.88,25.11,null,null,3.9032414880255621E-58,3.9032414880255621E-58,1.2491879422043343E-100,5.333253120976545E-57,3.0749394627163898E-101]
[18,"H2S",3.6230000000000002,301.10000000000002,0,0,373.3,302.39999999999998,0,0,373.55,90.0779,9.8489999999999994E-2,3.7360490332182565,296.63305010720239,4.3760983117172954,239.83912715607806,1.7853679377061018,4.3964571319178285,21037.54,4.577871909022341,2.9873414910738107E-2,1.1398928060649391,20.473150501347234,0,3.2356000000000001E-30,9.2509999999999994,0,1323000000000000,{"$f":"TblDat($B21,AD$26,AD$27)","v":34.075800000000001},0,9.2509999999999994,null,null,0,{"$f":"SUM(AG21:AI21)","v":0},8.5049945163281435E-103,3.7606596791433027E-58,8.1392029638104697E-102]
[19,"NH3",2.9,558.29999999999995,0,0,321.5,309.89999999999998,0,0,405.65,112.7848,7.2470000000000007E-2,3.3728829916608105,322.1234018899388,4.6843036423482571,222.39722130493558,1.6744667093680314,3.8741820765813504,29004.22,4.3115834377495332,2.5909276722229743E-2,1.1767024104435011,20.49080940643497,0,4.9034000000000002E-30,5.4480000000000004,0,1725000000000000,17.030999999999999,0,5.4480000000000004,null,null,0,0,1.0909048602429779E-103,1.833998133107793E-58,5.8200211496236196E-102]
[20,"Methanol",3.6259999999999999,481.8,0,0,365.7,385.2,0,0,512.64,80.97,0.11799999999999999,3.9680383184029302,407.08330024616845,6.7668989210083828,228.44573635213538,4.2486771475763998,4.4950716299483853,38470.15,9.5914716831615632,4.5608179128616852E-2,1.3399764817072211,13.669396387020095,1.3288,5.4999999999999998E-30,8.2219999999999995,0,{"$f":"vgR0(AA23)","v":1402935646848648.2},32.042000000000002,0.79,8.2219999999999995,null,null,0,0,1.3744965901467227E-102,6.0475138022423485E-58,5.6021840017581913E-101]
[21,"Ethanol",4.53,362.6,0,0,431.7,450.2,0,0,513.91999999999996,61.48,0.16700000000000001,4.4550646631273692,408.09973794965452,7.6769528865373218,221.54138805513452,4.8263609982206326,5.0770028575239534,43675.69,12.695259652639956,6.0216574069892663E-2,1.3830072869708085,9.8042653281137859,1.3606,5.6400000000000002E-30,12.900753752581803,0,{"$f":"vgR0(AA24)","v":1120002375192050.7},46.069000000000003,0.7893,12.900753752581803,{"$f":"Orient(Z24,Z24)","v":1.3237009260930514E-58},{"$f":"Induktion(Z24,Z24,AB24,AB24)","v":0},0,1.3237009260930514E-58,1.4953728726946332E-101,1.7304549034656567E-57,2.1443429315631061E-100]
[22,"Wasser",2.641,809.1,0,0,271,506,0,null,647.35,221.1823,6.3493999999999995E-2,3.2274492170409208,514.05542761851825,4.6005556969814352,335.0829323226493,3.6703622440314412,3.1111451655879994,46658.559999999998,5.599024178788059,2.1083522193440053E-2,1.4071479512749627,17.594762648373056,1.333,6.1709999999999997E-30,3.6680000000000001,0,2102000000000000,18.015000000000001,0.998,3.6680000000000001,{"$f":"Orient(Z25,Z25)","v":1.8971236689390469E-58},{"$f":"Induktion(Z25,Z25,AB25,AB25)","v":0},0,1.8971236689390469E-58,5.1447738562266553E-104,1.5161978707895343E-58,5.4759094970237338E-104]
[null,"Tbl Zeile",182,183,182,183,182,183,182,183,11,12,13,186,187,186,187,186,182,182,218,219,220,222,230,21,232,233,234,9,231,232,240,241,242,243,245,246,247]
[null,"Tbl Spalte",3,3,6,6,9,9,12,12,2,2,2,3,3,6,6,9,15,23,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2]
[]
[null,"2023-03-03","alle Daten werden direkt aus den Tabellen gelesen. Mit der Funktion tbldat ist das universell und einfach möglich. Schreiben mit Klick auf Datenfeld und dann \"Tabelleschreiben\"",null,null,null,null,null,null,null,null,null,null,null,"Klicken auf Datenfeld in der Tabelle"]
[null,"2023-03-04","Polings eps Werte ab Benzol sind im Vergleich zu hoch. s. Mourits"]
[]
["σ Datenvergleich",null,"1. Name = y 2. Name = x (Bezug)",null,null,"y = poling = Referenz"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["σ Poling Vk Vergleich",null,null,null,null,null,"c-e","ok",null,null,null,null," "," "," "]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["σ Dichte Vergleich"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"c-p","ok"]
["σ Virial"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["ε Datenvergleich"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["ε Vergleich"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["ε/k Virial"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["ε/k Poling - H-Sublimation"]