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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 : 15aug2002 

9  

10  

11  # 

12  # Model of a falvanostatic charge/opencircuit/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  

17  include "types"; 

18  

19  

20  FlowSheet 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 solidliquid 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*(1y1)*exp(0.5*F/(R*T)*(y2phi1))2*y1*exp(0.5*F/(R*T)*(y2phi1)))/F; 

44  

45  "Equation 1(b)" 

46  i01*(2*(1y1)*exp(0.5*F/(R*T)*(y2phi1))2*y1*exp(0.5*F/(R*T)*(y2phi1))) 

47  + i02*(exp(F/(R*T)*(y2phi2))exp(F/(R*T)*(y2phi2))) = iapp; 

48  

49  

50  #j1+j2 = iapp ; 

51  #j1 = i01*(2*(1y1)*exp(0.5*F/R/T*(y2phi1))2*y1*exp(0.5*F/R/T*(y2phi1))); 

52  #j2 = i02*(exp(F/R/T*(y2phi2))exp(F/R/T*(y2phi2))); 

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 = 1e5; 

71  phi1 = 0.420; 

72  phi2 = 0.303; 

73  i01 = 1e4; 

74  i02 = 1e10; 

75  iapp = 1e5; 

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 = 1e5; #relative tolerance 

86  absoluteAccuracy = 1e8; #absolute tolerance 

87  end 

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