Creating Multiple Pseudo components at once

[Hiren Shethna]

Hello,

Is there a way to create multiple pseudo components at once by providing all the component properties. I have an excel table of components and their properties (MW, Density and Boiling Point). Want to create those components all at once rather than one by one through the UI.

Any approach will be appreciated.

[Daniel Medeiros]

You can do it with a Python script. Can you share a snippet of your table?

[Hiren Shethna]

The component density and boiling point are present in this attached table. All the rest is to be estimated from the correlations present.

[Daniel Medeiros]

The following works:

import clr
import System

clr.AddReference("DWSIM")
clr.AddReference("System.Core")
clr.AddReference("System.Windows.Forms")
clr.ImportExtensions(System.Linq)
clr.AddReference("DWSIM.Interfaces")
clr.AddReference("DWSIM.SharedClasses")
clr.AddReference("Newtonsoft.Json")

from System import *

from DWSIM import *
from DWSIM import FormPCBulk

from DWSIM.Interfaces import *
from DWSIM.Interfaces.Enums import*
from DWSIM.Interfaces.Enums.GraphicObjects import *

from DWSIM.Thermodynamics import*
from DWSIM.Thermodynamics.BaseClasses import *
from DWSIM.Thermodynamics.PropertyPackages.Auxiliary import *
from DWSIM.Thermodynamics.Utilities.PetroleumCharacterization import GenerateCompounds
from DWSIM.Thermodynamics.Utilities.PetroleumCharacterization.Methods import *

from Newtonsoft.Json import JsonConvert, Formatting

# assay data from spreadsheet

names = ["NBP46", "NBP65", "NBP85", "NBP105", "NBP115"]
relative_densities = [677.3/1000.0, 694.2/1000.0, 712.1/1000.0, 729.2/1000.0, 739.7/1000.0] # relative
nbps = [46 + 273.15, 65 + 273.15, 85 + 273.15, 105 + 273.15, 115 + 273.15] # K

n = 5

# bulk c7+ pseudocompound creator settings

Tccorr = "Riazi-Daubert (1985)"
Pccorr = "Riazi-Daubert (1985)"
AFcorr = "Lee-Kesler (1976)"
MWcorr = "Winn (1956)"
adjustZR = True
adjustAf = True

# initial values for MW, SG and NBP

mw0 = 65
sg0 = 0.65
nbp0 = 310

# pseudocompound generator

comps = GenerateCompounds()

for i in range(0, n):

    # will generate only 1 pseudocompound for each item on the list of assay data. Normally we generate from 7 to 10 pseudocompounds for each set of assay data (MW, SG and NBP)

    comp_results = comps.GenerateCompounds(names[i], 1, Tccorr, Pccorr, AFcorr, MWcorr, adjustAf, adjustZR, None, relative_densities[i], nbps[i], None, None, None, None, mw0, sg0, nbp0)

    comp_values = list(comp_results.Values)
    comp_values[0].Name = names[i]
    comp_values[0].ConstantProperties.Name = names[i]
    comp_values[0].ComponentName = names[i]

    # save the compound to a JSON file, which can be loaded back on any simulation

    System.IO.File.WriteAllText("C:\\Users\\[YOURUSERNAME]\\Desktop\\" + str(names[i]) + ".json", JsonConvert.SerializeObject(comp_values[0].ConstantProperties, Formatting.Indented))

    # the following is for calculation quality check only, not required but desired

    myassay = SharedClasses.Utilities.PetroleumCharacterization.Assay.Assay(0, relative_densities[i], nbps[i], 0, 0, 0, 0)
    ms_check = Streams.MaterialStream("","")
    ms_check.SetFlowsheet(Flowsheet)
    ms_check.PropertyPackage = Flowsheet.PropertyPackages.Values.ToList()[0]

    c1 = Compound(names[i], names[i])
    c1.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[0].Compounds.Add(names[i], c1)

    c2 = Compound(names[i], names[i])
    c2.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[1].Compounds.Add(names[i], c2)

    c3 = Compound(names[i], names[i])
    c3.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[2].Compounds.Add(names[i], c3)

    c4 = Compound(names[i], names[i])
    c4.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[3].Compounds.Add(names[i], c4)

    c5 = Compound(names[i], names[i])
    c5.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[4].Compounds.Add(names[i], c5)

    c6 = Compound(names[i], names[i])
    c6.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[5].Compounds.Add(names[i], c6)

    c7 = Compound(names[i], names[i])
    c7.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[6].Compounds.Add(names[i], c7)

    c8 = Compound(names[i], names[i])
    c8.ConstantProperties = comp_values[0].ConstantProperties

    ms_check.Phases[7].Compounds.Add(names[i], c8)

    ms_check.EqualizeOverallComposition()

    qc = QualityCheck(myassay, ms_check)
    System.Windows.Forms.MessageBox.Show(str(names[i]) + " quality report:\n\n" + qc.GetQualityCheckReport())