1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
|
within Simulator.Files.Models.ReactionManager;
model EquilibriumReaction
//===================================================================================================
import Simulator.Files.*;
import data = Simulator.Files.ChemsepDatabase;
parameter Integer Nr;
//Number of Reactions involved in the process
parameter Real Coef_cr[Nc, Nr];
parameter String Rmode;
parameter Real Kg[Nr];
parameter Real A[Nr,4];
parameter Real B[Nr,4];
Real T;
//Stochiometry of reactions
Real Schk_r[Nr];
//Returns whether the specified stoichiometry is correct
Real Hf_c[Nc];
Real Hr_r[Nr];
//Equilibrium Constant
Real K[Nr](start=xliqg);
Real N[Nr](each start= Fg),D[Nr](each start=Fg);
extends Simulator.GuessModels.InitialGuess;
equation
//Check of stoichiometric balance
Schk_r = Simulator.Files.Models.ReactionManager.Stoichiometrycheck(Nr, Nc, C[:].MW, Coef_cr);
//Calculation of Heat of Reaction
Hf_c[:] = C[:].IGHF .* 1E-3;
//=============================================================================================
for i in 1:Nr loop
Hr_r[i] = sum(Hf_c[:] .* Coef_cr[:, i])/(Coef_cr[BC_r[1],i]);
end for;
if(Rmode=="ConstantK") then
K = Kg;
for i in 1:Nr loop
N[i] =0;
D[i]=0;
end for;
elseif(Rmode=="Tempfunc") then
for i in 1:Nr loop
N[i] = (A[i,1]+A[i,2]*T+A[i,3]*T^2+A[i,4]*log(T));
D[i] = (B[i,1]+B[i,2]*T+B[i,3]*T^2+B[i,4]*log(T));
end for;
(K)= exp(N./D);
end if;
annotation(
Icon(coordinateSystem(initialScale = 0)));
end EquilibriumReaction;
|
