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{"sheet":"VTPR Fitting- 2-propanol","index":0,"n_rows":172,"n_cols":54,"rows_kept":172,"cut":false,"hidden":false,"merged":[]}
[null,null,null,null,null,"VT PR EoS fitting for pure substances - v0.2"]
[null,null,null,"The worksheet can be modifed for other substances by replacing the properties and data in the yellow fields"]
[null,null,null,null,"Report problems to: smith@scf.che.tohoku.ac.jp",null,null,null,null,null,null,null,"With Excel Solver, both F(w) and the volume translation \"c\" can be fit.  The objective function can be the deviation of the vapor pressures and the deviations of the liquid densities."]
[null,null,null,"Substance Name","Structure","MW","Tb [K]","Tc [K]","Pc [MPa]","Vc [cm3/mol]","Acentric \nfactor","Zc"]
[null,null,1,"2-propanol","CH3CHOHCH3",60.057513999999998,355.41,508.31,4.7640000000000002,220.1,0.66900000000000004,0.248]
[null,null,null,null,null,null,"Tc [C]:",{"$f":"H5-273.15","v":235.16000000000003},null,null,null,null,null,null,"F(w) = (1 + (0.37464 + 1.54226 * w - 0.26992 * w ^ 2) * (1 - (T / Tc) ^ 0.5)) ^ 2"]
[null,null,null,null,null,null,null,null,null,null,null,"F(w) correlation:",{"$f":"0.37464 + 1.54226 * $K$5 - 0.26992 * $K$5 ^ 2","v":1.2856062748799999}]
[null,null,null,null,"Psat [Pa]","VL [m3/mol]","VV [m3/mol]","fL [Pa]","fV [Pa]",null,null,"F(w) fitted:",1.2217296507266127,"Values in Magenta can be used in the fitting procedure with the Objective Function below.",null,null,null,null,null,null,"Input Field",null,null,null,null,null,null,null,null,null,null,null,null,"Note that a vector function can almost be used like a usual Excel function in that it can be dragged and extended."]
[null,null,null,null,{"$f":"PSatVlVvfLfVPREOS_TcinK_PcinPa_w_TinC_alpha($H$5,$I$5*1000000,$K$5,C17-273.15,Q17)","v":2000.3431291671475},7.8289785313614751E-5,1.1417342341540972,1998.1670418371671,1998.1670418371618,null,null,"Volume translation c [m3/mol]:",{"$f":"M12","v":5.8713619943667773E-6},"Value used",null,null,null,null,null,null,"Calculation Field",null,null,null,null,null,null,null,null,null,null,null,null,"HOWEVER, it returns a VECTOR of values.  If you click on it, you can see the arguments that it uses.  "]
[null,null,null,null,null,null,null,null,null,null,null,"Volume translation c [m3/mol]:",{"$f":"-0.252*(8.314*$H$5/($I$5*1000000))*(1.5448*$L$5-0.4024)","v":4.3121184674814755E-6},"Gmehling function",null,null,null,null,null,null,"Solver Field",null,null,null,null,null,null,null,null,null,null,null,null,"HOWEVER, if you click on it, you must press CONTROL-SHIFT-ENTER key at the same time INSTEAD of just enter."]
[null,null,null,null,null,null,null,null,null,null,null,"Volume translation c [m3/mol]:",{"$f":"$AI$20-1/$O$20*$F$5/1000","v":3.74828851803976E-6},"Tr = 0.7","T at Tr=0.7 [C]:",{"$f":"0.7*$H$5-273.15","v":82.66700000000003},null,null,null,null,"Vector function",null,null,null,null,null,null,null,null,null,null,null,null,"You can change the arguments that it uses, but then you must press CONTROL-SHIFT-ENTER.  See the text for some advice."]
[null,null,null,null,null,null,null,null,null,null,null,"Volume translation c fitted [m3/mol]",5.8713619943667773E-6,null,null,null,null,null,null,null,"Note Field",null,null,null,null,null,null,null,null,null,null,null,null,null,"Vector-Function:"]
[null,null,"Saturation data from the literature used in the fitting procedure: ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Optional/Disregard",null,null,null,null,null,null,null,null,null,null,null,null,"PSatVlVvfLfVPREOS_TcinK_PcinPa_w_TinC_alpha(arg1, arg2, arg3, arg4, arg5)"]
[null,null,"D. Ambrose, J.F. Counsell, I.J. Lawrenson, G.B. Lewis, Thermodynamic Properties of Organic Oxygen Compounds .47. Pressure, Volume, Temperature Relations and Thermodynamic Properties of Propan-2-ol, Journal of Chemical Thermodynamics 10 (1978) 1033-1043.",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,"VL","VL","rhoL","rhoL",null,null,"Psat",null,null,"rhoL","rhoL",null,null,"rhoV","rhoL"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"VT PR EoS",null,null,null,null,"dP","drhoL","drhoV",null,null,null,null,null,null,null,"PR EoS","VTPR EoS","PR EoS","VTPR EoS",null,null,"VTPR EoS",null,null,"PR EoS","VTPR EoS",null,null,"VTPR EoS","VTPR EoS"]
[null,"No.","T [K]","Psat [kPa]","rhoL [kg/m3]","Vg [m3/mol]","VL [m3/mol]","HL [kJ/mol]","Hg [kJ/mol]","SL [kJ/mol K]","Sg [kJ/mol K]","Tr [-]","T [C]","Psat [MPa]","rhoL [kg/m3]","rhoG [kg/m3]","FITalpha","PRalpha","Psat [MPa]","rhoL [kg/m3]","rhoG [kg/m3]","dP","drhoL","drhoV","VL [m3/mol]","VV [m3/mol]","rhoL [kg/m3]","rhoG [kg/m3]","No.","[MPa]","[kg/m3]","[kg/m3]","No.","Psat [Pa]","VL [m3/mol]","VV [m3/mol]","fL [Pa]","fV [Pa]","No.","% Deviation","% Deviation","% Deviation","% Deviation",null,"No.","% Deviation",null,"No.","% Deviation","% Deviation",null,"No.","% Deviation","% Deviation"]
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[null,"CP",508.3,4761.6000000000004,273.17,2.23E-4,2.1985398835889735E-4,80.686000000000007,80.686000000000007,0.30681000000000003,0.30681000000000003,null,null,null,null,null,null,null,null,null,"sum of squares",{"$f":"SUMSQ(V17:V26)","v":1.12909517969161E-3},{"$f":"SUMSQ(W17:W26)","v":23112.364908464093},{"$f":"SUMSQ(X17:X26)","v":213.52205294358157},null,null,null,null,"SSQ:",{"$f":"SUMSQ(AD17:AD26)","v":1.12909517969161E-3},{"$f":"SUMSQ(AE17:AE24)","v":3327.1240338290359},{"$f":"SUMSQ(AF17:AF22)","v":0.19361654360265781}]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"OBJ. F.:",{"$f":"SUM(AD27)","v":1.12909517969161E-3},{"$f":"SUM(AE27)","v":3327.1240338290359},{"$f":"SUM(AF27)","v":0.19361654360265781}]
[null,null,null,null,null,null,null,null,null,"Note that a vector function can almost be used like a usual Excel function in that it can be dragged and extended.",null,null,null,null,null,null,null,null,null,"std dev",{"$f":"_xlfn.STDEV.S(S17:S26)","v":1.3953912797486596},{"$f":"_xlfn.STDEV.S(T17:T26)","v":139.60547024236354},{"$f":"_xlfn.STDEV.S(U17:U26)","v":40.734201984756481}]
[null,null,null,"Input Field",null,null,null,null,null,"HOWEVER, it returns a VECTOR of values.  If you click on it, you can see the arguments that it uses.  ",null,null,null,null,null,null,null,null,null,"sum dX^2/std dev",{"$f":"V27/U29","v":8.0916026642719504E-4},{"$f":"W27/V29","v":165.55486592566632},{"$f":"X27/W29","v":5.2418371427402857}]
[null,null,null,"Calculation Field",null,null,null,null,null,"HOWEVER, if you click on it, you must press CONTROL-SHIFT-ENTER key at the same time INSTEAD of just enter.",null,null,null,null,null,null,null,null,null,"Objective Function:",{"$f":"SUM(U30)","v":8.0916026642719504E-4}]
[null,null,null,"Solver Field",null,null,null,null,null,"You can change the arguments that it uses, but then you must press CONTROL-SHIFT-ENTER.  See the text for some advice."]
[null,null,null,"Vector function"]
[null,null,null,"Note Field",null,null,null,null,null,null,null,null,null,"Table for drawing the curves in the plots to the right.",null,null,null,null,null,null,null,null,null,"VT PR EoS"]
[null,null,null,"Optional/Disregard",null,null,null,null,null,null,null,null,"T [C]","FITalpha","Psat [Pa]","VL [m3/mol]","VV [m3/mol]","fL [Pa]","fV [Pa]","Psat [MPa]","rhoL [kg/m3]","rhoG [kg/m3]","VL [m3/mol]","VV [m3/mol]","rhoL [kg/m3]","rhoG [kg/m3]"]
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