1 | #*------------------------------------------------------------------- |
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2 | * EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC. |
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3 | * |
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4 | * This LIBRARY is free software; you can distribute it and/or modify |
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5 | * it under the therms of the ALSOC FREE LICENSE as available at |
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6 | * http://www.enq.ufrgs.br/alsoc. |
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7 | * |
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8 | * EMSO Copyright (C) 2004 - 2007 ALSOC, original code |
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9 | * from http://www.rps.eng.br Copyright (C) 2002-2004. |
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10 | * All rights reserved. |
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11 | * |
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12 | * EMSO is distributed under the therms of the ALSOC LICENSE as |
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13 | * available at http://www.enq.ufrgs.br/alsoc. |
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14 | * |
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15 | *-------------------------------------------------------------------- |
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16 | * Description of a flowsheet with only one cell based on the model |
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17 | * galvanic.model. |
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18 | * |
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19 | * Model of a falvanostatic charge/open-circuit/discharge process |
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20 | * Proposed by Wu and White, 2001 |
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21 | * This example is use to analize the convergence range of the |
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22 | * initialization algorithm. |
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23 | * |
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24 | *---------------------------------------------------------------------- |
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25 | * Author: Rafael de Pelegrini Soares |
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26 | * $Id: sample_galvanic.mso 138 2007-01-26 17:21:01Z arge $ |
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27 | *--------------------------------------------------------------------*# |
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28 | |
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29 | include "types"; |
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30 | |
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31 | |
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32 | FlowSheet cell |
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33 | |
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34 | PARAMETERS |
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35 | |
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36 | iapp; |
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37 | F as Real(Brief="Faraday constant"); |
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38 | R as Real(Brief="Ideal Gas constant"); |
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39 | T as Real(Brief="Temperature"); |
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40 | |
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41 | pho; W; V; phi1; phi2; i01; i02; |
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42 | |
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43 | |
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44 | VARIABLES |
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45 | |
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46 | y1 as Real(Default=0.5, Brief="Mole fraction of NiOOH"); |
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47 | y2 as Real(Default=0.5, Brief="Potential difference at the solid-liquid interface"); |
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48 | |
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49 | |
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50 | EQUATIONS |
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51 | |
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52 | #pho*V/W*$(y1) = j1/F; |
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53 | |
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54 | "Equation 1(a)" |
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55 | pho*V/W*diff(y1)*"s" = i01*(2*(1-y1)*exp(0.5*F/(R*T)*(y2-phi1))-2*y1*exp(-0.5*F/(R*T)*(y2-phi1)))/F; |
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56 | |
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57 | "Equation 1(b)" |
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58 | i01*(2*(1-y1)*exp(0.5*F/(R*T)*(y2-phi1))-2*y1*exp(-0.5*F/(R*T)*(y2-phi1))) |
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59 | + i02*(exp(F/(R*T)*(y2-phi2))-exp(-F/(R*T)*(y2-phi2))) = iapp; |
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60 | |
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61 | |
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62 | #j1+j2 = iapp ; |
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63 | #j1 = i01*(2*(1-y1)*exp(0.5*F/R/T*(y2-phi1))-2*y1*exp(-0.5*F/R/T*(y2-phi1))); |
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64 | #j2 = i02*(exp(F/R/T*(y2-phi2))-exp(-F/R/T*(y2-phi2))); |
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65 | |
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66 | #limintes de convergência |
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67 | # -inf < y1 < inf |
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68 | # -2.70< y2 < 2.66 |
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69 | |
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70 | # |
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71 | #j1,j2 |
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72 | # |
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73 | |
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74 | |
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75 | SET |
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76 | |
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77 | F = 96487; |
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78 | R = 8.314; |
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79 | T = 298.15; |
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80 | pho= 3.4; |
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81 | W = 92.7; |
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82 | V = 1e-5; |
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83 | phi1 = 0.420; |
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84 | phi2 = 0.303; |
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85 | i01 = 1e-4; |
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86 | i02 = 1e-10; |
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87 | iapp = 1e-5; |
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88 | |
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89 | INITIAL |
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90 | #Parameters used for the initial conditions |
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91 | #y1 = 0.05"; |
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92 | y2 = 0.38; |
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93 | |
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94 | |
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95 | OPTIONS |
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96 | time = [0:100:4000]; #integration time |
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97 | relativeAccuracy = 1e-5; #relative tolerance |
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98 | absoluteAccuracy = 1e-8; #absolute tolerance |
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99 | end |
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