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manufac-analytics / perry

Process Design Utilities
https://manufac-analytics.github.io/perry/
MIT License
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Migrate DWSIM Food Props #4

Closed maneetgoyal closed 3 years ago

maneetgoyal commented 3 years ago 
{
  "compounds": {
    "compound": [
      {
        "Name": "Fructose",
        "CAS_Number": "57-48-7",
        "ID": "28817",
        "OriginalDB": "User",
        "CurrentDB": "User",
        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Fructose.dwcsd2",
        "Formula": "C6H12O6",
        "SMILES": "O=C(CO)C(O)C(O)C(O)CO",
        "Molar_Weight": "180.16",
        "Critical_Temperature": "1041.26",
        "Critical_Pressure": "6430830.95",
        "Critical_Volume": "0.45",
        "Critical_Compressibility": "0.34",
        "Acentric_Factor": "2.67",
        "Z_Rackett": "0.34",
        "PR_Volume_Translation_Coefficient": "0",
        "SRK_Volume_Translation_Coefficient": "0",
        "CS_Acentric_Factor": "2.67",
        "CS_Solubility_Parameter": "55.35",
        "CS_Liquid_Molar_Volume": "12.87",
        "IG_Enthalpy_of_Formation_25C": "-5865.69",
        "IG_Gibbs_Energy_of_Formation_25C": "-4555.5",
        "Vapor_Pressure_Constant_EqNo": "0",
        "Vapor_Pressure_Constant_A": "0",
        "Vapor_Pressure_Constant_B": "0",
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        "Vapor_Pressure_Constant_D": "0",
        "Vapor_Pressure_Constant_E": "0",
        "Ideal_Gas_Heat_Capacity_EqNo": "4",
        "Ideal_Gas_Heat_Capacity_Const_A": "26202",
        "Ideal_Gas_Heat_Capacity_Const_B": "733.5",
        "Ideal_Gas_Heat_Capacity_Const_C": "-0.4455",
        "Ideal_Gas_Heat_Capacity_Const_D": "9.866E-05",
        "Ideal_Gas_Heat_Capacity_Const_E": "0",
        "Liquid_Heat_Capacity_EqNo": "0",
        "Liquid_Heat_Capacity_Const_A": "0",
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        "Liquid_Thermal_Conductivity_Const_D": "0",
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        "Liquid_Thermal_Conductivity_Const_Tmin": "0",
        "Liquid_Thermal_Conductivity_Const_Tmax": "0",
        "Liquid_Viscosity_EqNo": "0",
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        "Liquid_Density_Const_C": "0",
        "Liquid_Density_Const_D": "0",
        "Liquid_Density_Const_E": "0",
        "Vapor_Viscosity_EqNo": "\n    ",
        "Vapor_Viscosity_Const_A": "0",
        "Vapor_Viscosity_Const_B": "0",
        "Vapor_Viscosity_Const_C": "0",
        "Vapor_Viscosity_Const_D": "0",
        "Vapor_Viscosity_Const_E": "0",
        "Vapor_Thermal_Conductivity_EqNo": "\n    ",
        "Vapor_Thermal_Conductivity_Const_A": "0",
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        "Vapor_Thermal_Conductivity_Const_C": "0",
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        "Solid_Heat_Capacity_EqNo": "0",
        "Solid_Heat_Capacity_Constant_A": "0",
        "Solid_Heat_Capacity_Constant_B": "0",
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        "Solid_Heat_Capacity_Constant_D": "0",
        "Solid_Heat_Capacity_Constant_E": "0",
        "Solid_Heat_Capacity_TMin": "0",
        "Solid_Heat_Capacity_TMax": "466.41",
        "Solid_Density_EqNo": "2",
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        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "466.41",
        "Enthalpy_of_fusion": "22.77",
        "PC_SAFT_sigma": "0",
        "PC_SAFT_m": "0",
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        "IsBlackOil": "False",
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        "BlackOil_OilVisc1": "0",
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        "BlackOil_OilViscTemp2": "0",
        "BlackOil_PNA_A": "0",
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        "BlackOil_PNA_P": "0",
        "Ion": "False",
        "Salt": "False",
        "HydratedSalt": "False",
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        "NegativeIon": "\n    ",
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        "DelGF_kJ_mol": "0",
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        "Hfus_at_Tf_kJ_mol": "22.77",
        "DenS_T_C": "0",
        "DenS_g_mL": "0",
        "elements": [
          {
            "-name": "C",
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          },
          {
            "-name": "H",
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          },
          {
            "-name": "O",
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          }
        ]
      },
      {
        "Name": "Glucose",
        "CAS_Number": "50-99-7",
        "ID": "93962",
        "OriginalDB": "User",
        "CurrentDB": "User",
        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Glucose.dwcsd2",
        "Formula": "C6H12O6",
        "SMILES": "O=CC(O)C(O)C(O)C(O)CO",
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        "Critical_Temperature": "1034.02",
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        "PR_Volume_Translation_Coefficient": "0",
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        "CS_Acentric_Factor": "2.7",
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        "IG_Gibbs_Energy_of_Formation_25C": "-4405.75044404973",
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        "Liquid_Thermal_Conductivity_Const_D": "0",
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        "Liquid_Density_EqNo": "0",
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        "Vapor_Viscosity_EqNo": "\n    ",
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        "Solid_Heat_Capacity_TMin": "0",
        "Solid_Heat_Capacity_TMax": "443.48",
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        "Solid_Density_Constant_A": "8.31014294135547",
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        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "443.48",
        "Enthalpy_of_fusion": "19.93",
        "PC_SAFT_sigma": "0",
        "PC_SAFT_m": "0",
        "PC_SAFT_epsilon_k": "0",
        "IsBlackOil": "False",
        "BlackOil_GOR": "0",
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        "BlackOil_OilVisc1": "0",
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        "BlackOil_PNA_P": "0",
        "Ion": "False",
        "Salt": "False",
        "HydratedSalt": "False",
        "HydrationNumber": "0",
        "Charge": "0",
        "PositiveIon": "\n    ",
        "NegativeIon": "\n    ",
        "PositiveIonStoichCoeff": "0",
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        "StoichSum": "0",
        "DelGF_kJ_mol": "0",
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        "Cp_J_mol_K": "0",
        "Tf_C": "443.48",
        "Hfus_at_Tf_kJ_mol": "19.93",
        "DenS_T_C": "0",
        "DenS_g_mL": "0",
        "elements": [
          {
            "-name": "C",
            "#text": "6"
          },
          {
            "-name": "H",
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          },
          {
            "-name": "O",
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          }
        ]
      },
      {
        "Name": "Limonene",
        "CAS_Number": "138-86-3",
        "ID": "96414",
        "OriginalDB": "User",
        "CurrentDB": "User",
        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Limonene.dwcsd2",
        "Formula": "C10H16",
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        "Solid_Heat_Capacity_EqNo": "0",
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        "Solid_Heat_Capacity_TMin": "0",
        "Solid_Heat_Capacity_TMax": "207.4",
        "Solid_Density_EqNo": "2",
        "Solid_Density_Constant_A": "8.93948572451856",
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        "Solid_Density_TMin": "0",
        "Solid_Density_TMax": "207.4",
        "Normal_Boiling_Point": "448.65",
        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "207.4",
        "Enthalpy_of_fusion": "11.73",
        "PC_SAFT_sigma": "0",
        "PC_SAFT_m": "0",
        "PC_SAFT_epsilon_k": "0",
        "IsBlackOil": "False",
        "BlackOil_GOR": "0",
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        "BlackOil_SGG": "0",
        "BlackOil_SGO": "0",
        "BlackOil_OilVisc1": "0",
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        "BlackOil_OilViscTemp2": "0",
        "BlackOil_PNA_A": "0",
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        "Ion": "False",
        "Salt": "False",
        "HydratedSalt": "False",
        "HydrationNumber": "0",
        "Charge": "0",
        "PositiveIon": "\n    ",
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        "StoichSum": "0",
        "DelGF_kJ_mol": "0",
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        "Cp_J_mol_K": "0",
        "Tf_C": "207.4",
        "Hfus_at_Tf_kJ_mol": "11.73",
        "DenS_T_C": "0",
        "DenS_g_mL": "0",
        "elements": [
          {
            "-name": "C",
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          },
          {
            "-name": "H",
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      },
      {
        "Name": "Linalool",
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        "ID": "13860",
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        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Linalool.dwcsd2",
        "Formula": "C10H18O",
        "SMILES": "C=CC(C)(O)CCC=C(C)C",
        "Molar_Weight": "154.25",
        "Critical_Temperature": "697.84",
        "Critical_Pressure": "2581961.8",
        "Critical_Volume": "0.57",
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        "Acentric_Factor": "0.77",
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        "CS_Acentric_Factor": "0.77",
        "CS_Solubility_Parameter": "8.09",
        "CS_Liquid_Molar_Volume": "180.95",
        "IG_Enthalpy_of_Formation_25C": "-1152.98",
        "IG_Gibbs_Energy_of_Formation_25C": "381.52",
        "Vapor_Pressure_Constant_EqNo": "0",
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        "Ideal_Gas_Heat_Capacity_EqNo": "4",
        "Ideal_Gas_Heat_Capacity_Const_A": "-42248",
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        "Ideal_Gas_Heat_Capacity_Const_D": "0.0002561",
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        "Name": "Palmitic Acid",
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        "Name": "Linoleic Acid",
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        "Name": "Lauric acid",
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        "ID": "78553",
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        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Lauric acid.dwcsd2",
        "Formula": "C12H24O2",
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        "Critical_Temperature": "786.25",
        "Critical_Pressure": "2038226.95",
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        "Normal_Boiling_Point": "620.21",
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      {
        "Name": "Myristic acid",
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        "ID": "85677",
        "OriginalDB": "User",
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        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Myristic acid.dwcsd2",
        "Formula": "C14H28O2",
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        "Critical_Temperature": "832.43",
        "Critical_Pressure": "1726027.93",
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        "Solid_Heat_Capacity_TMax": "358.29",
        "Solid_Density_EqNo": "2",
        "Solid_Density_Constant_A": "6.86911816466073",
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        "Normal_Boiling_Point": "665.97",
        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "358.29",
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      {
        "Name": "Palmitic acid",
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        "ID": "91488",
        "OriginalDB": "User",
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        "Normal_Boiling_Point": "711.73",
        "UNIQUAC_q": "0",
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        "PositiveIonStoichCoeff": "0",
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      {
        "Name": "Arachidic acid",
        "CAS_Number": "506-30-9",
        "ID": "50335",
        "OriginalDB": "User",
        "CurrentDB": "User",
        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Arachidic acid.dwcsd2",
        "Formula": "C20H40O2",
        "SMILES": "CCCCCCCCCCCCCCCCCCCC(=O)O",
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        "Critical_Temperature": "983.72",
        "Critical_Pressure": "1123811.56",
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        "Ideal_Gas_Heat_Capacity_EqNo": "4",
        "Ideal_Gas_Heat_Capacity_Const_A": "-2642",
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        "Solid_Density_EqNo": "2",
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        "Normal_Boiling_Point": "803.25",
        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "425.91",
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        "Ion": "False",
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      {
        "Name": "Behenic acid",
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        "ID": "72297",
        "OriginalDB": "User",
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        "Comments": "\n    ",
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        "Critical_Temperature": "1040.03",
        "Critical_Pressure": "992001.98",
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        "Solid_Heat_Capacity_TMax": "448.45",
        "Solid_Density_EqNo": "2",
        "Solid_Density_Constant_A": "6.63617920513356",
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        "Normal_Boiling_Point": "849.01",
        "UNIQUAC_q": "0",
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      {
        "Name": "Lignoceric acid",
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        "ID": "30098",
        "OriginalDB": "User",
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        "Comments": "\n    ",
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        "Solid_Density_Constant_A": "6.56924195793565",
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        "Normal_Boiling_Point": "894.77",
        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "470.99",
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        "BlackOil_OilVisc1": "0",
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        "DelGF_kJ_mol": "0",
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      {
        "Name": "Cerotic acid",
        "CAS_Number": "506-46-7",
        "ID": "99986",
        "OriginalDB": "User",
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        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Cerotic acid.dwcsd2",
        "Formula": "C26H52O2",
        "SMILES": "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O",
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        "Critical_Temperature": "1164.98",
        "Critical_Pressure": "789485.26",
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        "Solid_Heat_Capacity_TMax": "799.43",
        "Solid_Density_EqNo": "2",
        "Solid_Density_Constant_A": "8.98178987907444",
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        "Normal_Boiling_Point": "1290.3",
        "UNIQUAC_q": "0",
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        "Temperature_of_fusion": "799.43",
        "Enthalpy_of_fusion": "63.66",
        "PC_SAFT_sigma": "0",
        "PC_SAFT_m": "0",
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        "BlackOil_OilViscTemp2": "0",
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        "Ion": "False",
        "Salt": "False",
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        "HydrationNumber": "0",
        "Charge": "0",
        "PositiveIon": "\n    ",
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      {
        "Name": "Trilaurin",
        "CAS_Number": "538-24-9",
        "ID": "86758",
        "OriginalDB": "User",
        "CurrentDB": "User",
        "Comments": "\n    ",
        "CompCreatorStudyFile": "C:\\Users\\nicol\\Dropbox\\PUC\\Aulas\\Disciplinas\\DWSIM\\Exercícios DWSIM\\Criação de Componentes\\Trilaurin.dwcsd2",
        "Formula": "C39H74O6",
        "SMILES": "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC",
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        "Critical_Temperature": "1892.96",
        "Critical_Pressure": "431148.66",
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        "IG_Enthalpy_of_Formation_25C": "-2485.03",
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        "Ideal_Gas_Heat_Capacity_Const_A": "64332",
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        "Vapor_Thermal_Conductivity_Const_D": "0",
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        "Vapor_Thermal_Conductivity_Const_Tmin": "0",
        "Vapor_Thermal_Conductivity_Const_Tmax": "0",
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        "Solid_Heat_Capacity_Constant_E": "0",
        "Solid_Heat_Capacity_TMin": "0",
        "Solid_Heat_Capacity_TMax": "730.77",
        "Solid_Density_EqNo": "2",
        "Solid_Density_Constant_A": "10.1030806126353",
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        "Normal_Boiling_Point": "1320.35",
        "UNIQUAC_q": "0",
        "UNIQUAC_r": "0",
        "Temperature_of_fusion": "730.77",
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        "PC_SAFT_epsilon_k": "0",
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        "BlackOil_OilVisc1": "0",
        "BlackOil_OilVisc2": "0",
        "BlackOil_OilViscTemp1": "0",
        "BlackOil_OilViscTemp2": "0",
        "BlackOil_PNA_A": "0",
        "BlackOil_PNA_N": "0",
        "BlackOil_PNA_P": "0",
        "Ion": "False",
        "Salt": "False",
        "HydratedSalt": "False",
        "HydrationNumber": "0",
        "Charge": "0",
        "PositiveIon": "\n    ",
        "NegativeIon": "\n    ",
        "PositiveIonStoichCoeff": "0",
        "NegativeIonStoichCoeff": "0",
        "StoichSum": "0",
        "DelGF_kJ_mol": "0",
        "DelHf_kJ_mol": "0",
        "Cp_J_mol_K": "0",
        "Tf_C": "730.77",
        "Hfus_at_Tf_kJ_mol": "101.6",
        "DenS_T_C": "0",
        "DenS_g_mL": "0",
        "elements": [
          {
            "-name": "C",
            "#text": "39"
          },
          {
            "-name": "H",
            "#text": "74"
          },
          {
            "-name": "O",
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          }
        ]
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    ]
  }
}
maneetgoyal commented 3 years ago

@sumitnegi7 This migration can begin in parallel. Have pushed some sample data for reference. Try to do in batches only.