UO-01 Key not found exception : The given key was not present in the library

[nihal]

I am developing a code for python in DW-Sim using Python.NET but I am getting the error where it is saying that Key not found exception . My code is as follows -
import numpy as np
from scipy.integrate import solve_bvp
import math
import System
from System import IO
import matplotlib.pyplot as plt
import pandas as pd

defining overall mass and molar flow

MF10 = ims1.Phases[0].Properties.molarflow #overall molar flow of heat transfer fluid
MF20 = ims2.Phases[0].Properties.molarflow #overall molar flow of perhydrdibenzyltoluene mixture
Tj = ims1.Phases[0].Properties.temperature #temperature of the heat transfer fluid
Tf = ims2.Phases[0].Properties.temperature #temperature of the perhydrodibenzyltoluene
WF10 =ims1.Phases[0].Properties.massflow #overall mass flow of heat transfer fluid
WF20 =ims2.Phases[0].Properties.massflow #overall mass flow of perhydrdibenzyltoluene mixture
Pf= ims2.Phases[0].Properties.pressure #Pressure on the reactor side
feed1 = ims1
feed2 = ims2
pi= np.pi
exp = np.exp
cosh= np.cosh
sinh = np.sinh
log = np.log
pd1=pd
def dehyd(z,y):
global feed1,feed2,pi,exp,cosh,sinh,log,dt,dh,MF10,MF20,Tj,Tf,pd1
.
.
.
.
.
. (Physical properties of compound and empirical equation
.
.
.
.
.
return np.vstack ((dC1dz,dC2dz,dC3dz,dTfdz,dTjdz,dPdz))
def bc(ya,yb):
global feed1,feed2,pi,exp,cosh,sinh,log,MF10,MF20,Tj,Tf
WF1=(feed2.Phases[0].Compounds['perhydrodibenzyltoulene'].MassFlow) #mass flow rate of 18H-DBT (kg/s)
MF1=(feed2.Phases[0].Compounds['perhydrodibenzyltoulene'].MolarFlow) #molar flow rate of 18H-DBT (mol/s)
Tf = (feed2.Phases[0].Properties.temperature) #temperature of the perhydrodibenzyltoluene
A1 = 1.1005251
A2 = -0.0006384
rho1 = (A1+(A2Tf))1000 #density of the 18H-DBT (Kg/m3)
QDBT1 = (WF1/rho1) #Volumetric flow rate of perhydrodibenzyltoluene(m3/s)
C0 = (MF1/QDBT1) #initial concentration of the PDBT
Tf = feed2.Phases[0].Properties.temperature #feed temperature of perhydrodibenzyltoluene
Tj = feed1.Phases[0].Properties.temperature # jacket temperature of diphenylether
Pf= feed2.Phases[0].Properties.pressure #Pressure on the reactor side
return np.array([ya[0]-C0, ya[1], ya[2] , ya[3]-Tj, yb[4]-Tf, ya[5]-Pf])
# initial condions and boundary value
n=150
WF1= ims2.Phases[0].Compounds['perhydrodibenzyltoulene'].MassFlow #mass flow rate of 18H-DBT (kg/s)
MF1= ims2.Phases[0].Compounds['perhydrodibenzyltoulene'].MolarFlow #molar flow rate of 18H-DBT (mol/s)
A1 = 1.1005251
A2 = -0.0006384
rho1 = (A1+(A2Tf))1000 #density of the 18H-DBT (Kg/m3)
QDBT1 = (WF1/rho1) #Volumetric flow rate of perhydrodibenzyltoluene(m3/s)
C0 = (MF1/QDBT1) #initial concentration of the PDBT
z = np.linspace(0,21,n)
y = ([ np.full_like(z, C0), np.full_like(z, 0), np.full_like(z, 0), np.full_like(z, Tj), np.full_like(z, Tf), np.full_like(z,Pf)])
sol=solve_bvp(dehyd,bc,z,y)
Cend1=np.array(sol.y[0])
Cendlength1=len(Cend1)
Cendvalue1=Cend1[Cendlength1-1]
Cend2=np.array(sol.y[1])
Cendlength2=len(Cend2)
Cendvalue2=Cend2[Cendlength2-1]
Cend3=np.array(sol.y[2])
Cendlength3=len(Cend3)
Cendvalue3=Cend3[Cendlength3-1]
Tf=np.array(sol.y[3])
Tendlengthf=len(Tf)
Tvaluef=Tf[Tendlengthf-1]
Tj=np.array(sol.y[4])
Tendlengthj=len(Tj)
Tvaluej=Tj[Tendlengthj-1]
Pf=np.array(sol.y[5])
Pendlengthf=len(Pf)
Pvaluef=Pf[Pendlengthf-1]

output mole fraction

Ctotal=Cendvalue1+Cendvalue2+Cendvalue3
outy1=(Cendvalue1/Ctotal) #outlet mole fraction of 18H-DBT
outy2=(Cendvalue2/Ctotal) #outlet mole fraction of DBT
outy3=(Cendvalue3/Ctotal) #outlet mole fraction of Hydrogen

output mass fraction of HTF

outy4 = 0.99

return output connected to port 1 and port 2

oms1.Clear()
oms2.Clear()
oms2.Phases[0].Properties.temperature = System.Nullable[System.Double] (Tvaluef)
oms1.Phases[0].Properties.temperature = System.Nullable[System.Double] (Tvaluej)
oms1.Phases[0].Properties.pressure = ims1.Phases[0].Properties.pressure
oms2.Phases[0].Properties.pressure = System.Nullable[System.Double] (Pvaluef)
oms2.Phases[0].Compounds['perhydrodibenzyltoulene'].MoleFraction = System.Nullable[System.Double] (outy1)
oms2.Phases[0].Compounds['Dibenzyltoulene'].MoleFraction = System.Nullable[System.Double] (outy2)
oms2.Phases[0].Compounds['Hydrogen'].MoleFraction = System.Nullable[System.Double] (outy3)
oms1.Phases[0].Compounds['diphenylether'].MoleFraction = System.Nullable[System.Double] (outy4)
oms2.Phases[0].Properties.massflow = System.Nullable[System.Double] (WF20(outy1+outy2+outy3))
oms1.Phases[0].Properties.massflow = System.Nullable[System.Double] (WF10(outy4))

set massflow

oms1.Phases[0].Properties.massflow = ims1.Phases[0].Properties.massflow
oms2.Phases[0].Properties.massflow = ims2.Phases[0].Properties.massflow

calculate remaining properties

oms1.Calculate(True,True)
oms2.Calculate(True,True)

I am finding the error as UO-O1 key exception not found . The given key is not present in the library.

@danwbr or anyone please provide in this regard

Thank you

[nihal]

Please check the error . It is like this

[Daniel Medeiros]

Compounds['perhydrodibenzyltoulene']

is this matching the compound name exactly, including caps?

[nihal]

Yes Daniel , the compound name written in the code is matching with the material stream.

[nihal]

@danwbr please look at the attached file

[nihal]

@danwbr Is the "solve_bvp" not functioning in the DWSim Python.NET