1 | #*--------------------------------------------------------------------- |
---|
2 | * This file is property of the author and cannot be used, copyed |
---|
3 | * or modified without permission. |
---|
4 | * |
---|
5 | * Copyright (C) 2004 the author |
---|
6 | *---------------------------------------------------------------------- |
---|
7 | * Author: Rafael de P. Soares |
---|
8 | * Paula B. Staudt |
---|
9 | * $Id: sample_cstr_PG.mso 6 2005-01-11 17:06:06Z paula $ |
---|
10 | *--------------------------------------------------------------------*# |
---|
11 | |
---|
12 | using "reactors/pfr"; |
---|
13 | |
---|
14 | #* |
---|
15 | * Adiabatic Production of Acetic Anhydride with a PFR |
---|
16 | * |
---|
17 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
---|
18 | * Second Edition H. Scott Fogler |
---|
19 | * |
---|
20 | *# |
---|
21 | FlowSheet PFR_AceticAnhydride |
---|
22 | PARAMETERS |
---|
23 | PP as CalcObject(Brief="Physical Properties",File="vrpp"); |
---|
24 | NComp as Integer; |
---|
25 | |
---|
26 | DEVICES |
---|
27 | s1 as streamTP; |
---|
28 | Reac as pfr; |
---|
29 | |
---|
30 | SET |
---|
31 | PP.Components = ["acetone", "acetic anhydride", "methane" ]; |
---|
32 | PP.LiquidModel = "PR"; |
---|
33 | PP.VapourModel = "PR"; |
---|
34 | |
---|
35 | NComp = PP.NumberOfComponents; |
---|
36 | |
---|
37 | Reac.NDisc = 10; |
---|
38 | Reac.Across = 0.7 * "in^2"; |
---|
39 | Reac.L = 2.28 * "m"; |
---|
40 | Reac.NReac = 1; |
---|
41 | |
---|
42 | # Reaction 1: A -> B + C |
---|
43 | Reac.stoic(:,1) = [-1, 1, 1]; |
---|
44 | |
---|
45 | EQUATIONS |
---|
46 | |
---|
47 | for z in [1:Reac.NDisc] |
---|
48 | "Reaction Rate = k*C(1)" |
---|
49 | Reac.r(1,z) = exp(34.34 - (34222 * "K") / Reac.str(z).T)*"1/s" * Reac.C(1,z); |
---|
50 | |
---|
51 | "Heat of reaction" |
---|
52 | Reac.Hr(1,z) = -80.77 * "kJ/mol"; |
---|
53 | |
---|
54 | "Pressure Drop (no pressure drop)" |
---|
55 | Reac.str(z+1).P = Reac.str(z).P; |
---|
56 | end |
---|
57 | |
---|
58 | SPECIFY |
---|
59 | s1.F = 138/1000 * "kmol/h"; |
---|
60 | s1.T = 1035 * "K"; |
---|
61 | s1.P = 1.6 * "atm"; |
---|
62 | s1.z = [1, 0, 0]; |
---|
63 | |
---|
64 | "Adiabatic" |
---|
65 | Reac.q = 0 * "J/s"; |
---|
66 | |
---|
67 | CONNECTIONS |
---|
68 | s1 to Reac.Inlet; |
---|
69 | |
---|
70 | INITIAL |
---|
71 | for z in [2:Reac.NDisc+1] |
---|
72 | Reac.str(z).T = Reac.Inlet.T; |
---|
73 | Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1); |
---|
74 | end |
---|
75 | |
---|
76 | OPTIONS |
---|
77 | # This model can be solved in both steady or dynamic |
---|
78 | #mode = "steady"; |
---|
79 | time = [0:0.05:3] * "s"; |
---|
80 | NLASolver = "sundials"; |
---|
81 | #DAESolver = "dassl"; |
---|
82 | end |
---|