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November 10, 2020 12:40
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Using DWSIM Standalone Thermodynamics Library in Python with Python.NET - Peng-Robinson
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| import clr, array | |
| from System import String, Double, Array, Reflection, Exception | |
| dtlpath = "C:\\Users\name\\Folder\\" | |
| clr.AddReference(dtlpath + "DWSIM.Thermodynamics.StandaloneLibrary.dll") | |
| from DWSIM.Thermodynamics import Streams, PropertyPackages, CalculatorInterface | |
| from DWSIM.Interfaces.Enums import FlashCalculationType | |
| #from DWSIM.Thermodynamics.PropertyPackages.Auxiliary.FlashAlgorithms import * | |
| import CapeOpen | |
| dtlc = CalculatorInterface.Calculator() | |
| print(String.Format("DTL version: {0}", Reflection.Assembly.GetAssembly(dtlc.GetType()).GetName().Version)) | |
| print() | |
| dtlc.Initialize() | |
| #nrtl = PropertyPackages.NRTLPropertyPackage(True) | |
| pr = PropertyPackages.PengRobinsonPropertyPackage(True) | |
| dtlc.TransferCompounds(pr) | |
| T = 94+273.15 #K | |
| P = 25*101325.0 #Pa | |
| carray = Array[String](["Water", "Methane", "Propane", "Isobutane", "N-butane", "N-decane"]) | |
| comparray = Array[Double]([0.2, 0.2, 0.1, 0.1, 0.1, 0.3]) | |
| #result2 = dtlc.PTFlash(pr,3,P,T,carray,comparray) | |
| ms = dtlc.CreateMaterialStream(carray, comparray) | |
| print ("Calculating Material Stream Phase Equilibria and Properties at T = " + str(T) + " K and P = " + str(P) + " Pa") | |
| #print ("Mass Flow = 1000 kg/s") | |
| ms.SetPropertyPackage(pr) | |
| ms.SetPressure(P) | |
| ms.SetTemperature(T) | |
| ms.SetMolarFlow(1.0) # mol/s | |
| #nlvlle=NestedLoops #Immiscible | |
| #nlvlle.StabSearchCompIDs = String(r"Water") | |
| #nlvlle.StabSearchSeverity = 0 | |
| #ms.FlashAlgorithm = nlvlle | |
| ms.SetFlashSpec("PT") | |
| ms.Calculate() | |
| vapordensity = ms.GetPhase("Vapor").Properties.density | |
| print("Vapor Phase Density: " + str(vapordensity) + " kg/m3") | |
| print("Vapour molecular weight: " + str(ms.GetPhase("Vapor").Properties.molecularWeight)+ " kg/kmole") | |
| liquiddensity = ms.GetPhase("Liquid1").Properties.density | |
| print("Liquid1 Phase Density: " + str(liquiddensity) + " kg/m3") | |
| print("Liquid1 molecular weight: " + str(ms.GetPhase("Liquid1").Properties.molecularWeight) + " kg/kmole") | |
| liquid2density = ms.GetPhase("Liquid2").Properties.density | |
| print("Liquid 2 Phase Density: " + str(liquid2density) + " kg/m3") | |
| print("Liquid2 molecular weight: " + str(ms.GetPhase("Liquid2").Properties.molecularWeight) + " kg/kmole") | |
| for comp in ms.GetPhase("Overall").Compounds.Values: | |
| print(comp.ConstantProperties.Name + " Overall Molar Flow: " + str(comp.MolarFlow) + " mol/s") | |
| vaporflow = ms.GetPhase("Vapor").Properties.molarflow | |
| print("Vapor Phase Molar Flow: " + str(vaporflow) + " mol/s") | |
| liquidflow = ms.GetPhase("Liquid1").Properties.molarflow | |
| print("Liquid Phase Molar Flow: " + str(liquidflow) + " mol/s") | |
| liquid2flow = ms.GetPhase("Liquid2").Properties.molarflow | |
| print("Liquid Phase Molar Flow: " + str(liquid2flow) + " mol/s") |
kookma, I am not sure I can explain every bit, but generally it is a python way of using the DTL, via the pythonnet package (to call .Net). It defines the property package Peng-Robinson with whatever default methods are set (density, viscocity, ....etc). The components considered are defined by name and composition. A material stream is defined with the specified composition, flow, T and P. A PT-flash is solved by using the stream method (can be done differently also as shown by Daniel). Once solved some phase properties are printed. You have to study the interface description for DWSIM/DTL or other examles if you what other properties.
Thank you Anders!
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It would be nice to add a small description, tell readers what this code does! Also it is nice to have an example with its results.