source: mso/sample/miscellaneous/sample_galvanic.mso @ 1

Last change on this file since 1 was 1, checked in by Rafael de Pelegrini Soares, 16 years ago

Initial import of the library

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1# Sample file of E·M·SO (TM)
2#
3# Description of a flowsheet with only one cell based on the model
4# galvanic.model.
5#
6
7# Author : Rafael de Pelegrini Soares
8# Date   : 15-aug-2002
9
10
11#
12# Model of a falvanostatic charge/open-circuit/discharge process
13# Proposed by Wu and White, 2001
14# This example is use to analize the convergence range of the
15# initialization algorithm.
16
17include "types";
18
19
20FlowSheet cell
21
22        PARAMETERS
23
24        iapp;
25        F as Real(Brief="Faraday constant");
26        R as Real(Brief="Ideal Gas constant");
27        T as Real(Brief="Temperature");
28
29        pho; W; V; phi1; phi2; i01; i02;
30
31
32        VARIABLES
33
34        y1  as  current(Default=0.5, Brief="Mole fraction of NiOOH");
35        y2  as  current(Default=0.5, Brief="Potential difference at the solid-liquid interface");
36
37
38        EQUATIONS
39
40        #pho*V/W*$(y1) = j1/F;
41       
42        "Equation 1(a)"
43        pho*V/W*diff(y1) = i01*(2*(1-y1)*exp(0.5*F/(R*T)*(y2-phi1))-2*y1*exp(-0.5*F/(R*T)*(y2-phi1)))/F;
44       
45        "Equation 1(b)"
46        i01*(2*(1-y1)*exp(0.5*F/(R*T)*(y2-phi1))-2*y1*exp(-0.5*F/(R*T)*(y2-phi1)))
47           + i02*(exp(F/(R*T)*(y2-phi2))-exp(-F/(R*T)*(y2-phi2))) = iapp;
48       
49         
50        #j1+j2 = iapp ;
51        #j1 = i01*(2*(1-y1)*exp(0.5*F/R/T*(y2-phi1))-2*y1*exp(-0.5*F/R/T*(y2-phi1)));
52        #j2 = i02*(exp(F/R/T*(y2-phi2))-exp(-F/R/T*(y2-phi2)));
53
54        #limintes de convergência
55        # -inf < y1 < inf
56        # -2.70< y2 < 2.66
57
58        #
59        #j1,j2
60        #
61
62
63        SET
64
65        F = 96487;
66        R = 8.314;
67        T = 298.15;
68        pho= 3.4;
69        W = 92.7;
70        V = 1e-5;
71        phi1 = 0.420;
72        phi2 = 0.303;
73        i01  = 1e-4;
74        i02  = 1e-10;
75        iapp = 1e-5;
76
77        INITIAL
78        #Parameters used for the initial conditions
79        #y1 = 0.05;
80        y2 = 0.38;
81
82
83        OPTIONS
84        time = [0:100:4000]; #integration time
85        relativeAccuracy = 1e-5; #relative tolerance
86        absoluteAccuracy = 1e-8; #absolute tolerance
87end
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