source: mso/sample/miscellaneous/sample_galvanic.mso @ 4

# Sample file of E·M·SO (TM)
#
# Description of a flowsheet with only one cell based on the model
# galvanic.model.
#

# Author : Rafael de Pelegrini Soares
# Date   : 15-aug-2002


#
# Model of a falvanostatic charge/open-circuit/discharge process
# Proposed by Wu and White, 2001
# This example is use to analize the convergence range of the
# initialization algorithm.

include "types";


FlowSheet cell

        PARAMETERS

        iapp;
        F as Real(Brief="Faraday constant");
        R as Real(Brief="Ideal Gas constant");
        T as Real(Brief="Temperature");

        pho; W; V; phi1; phi2; i01; i02;


        VARIABLES

        y1  as  current(Default=0.5, Brief="Mole fraction of NiOOH");
        y2  as  current(Default=0.5, Brief="Potential difference at the solid-liquid interface");


        EQUATIONS

        #pho*V/W*$(y1) = j1/F;
        
        "Equation 1(a)"
        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;
        
        "Equation 1(b)"
        i01*(2*(1-y1)*exp(0.5*F/(R*T)*(y2-phi1))-2*y1*exp(-0.5*F/(R*T)*(y2-phi1)))
           + i02*(exp(F/(R*T)*(y2-phi2))-exp(-F/(R*T)*(y2-phi2))) = iapp;
        
          
        #j1+j2 = iapp ;
        #j1 = i01*(2*(1-y1)*exp(0.5*F/R/T*(y2-phi1))-2*y1*exp(-0.5*F/R/T*(y2-phi1)));
        #j2 = i02*(exp(F/R/T*(y2-phi2))-exp(-F/R/T*(y2-phi2)));

        #limintes de convergência
        # -inf < y1 < inf
        # -2.70< y2 < 2.66

        #
        #j1,j2
        #


        SET

        F = 96487;
        R = 8.314;
        T = 298.15;
        pho= 3.4;
        W = 92.7;
        V = 1e-5;
        phi1 = 0.420;
        phi2 = 0.303;
        i01  = 1e-4;
        i02  = 1e-10;
        iapp = 1e-5;

        INITIAL
        #Parameters used for the initial conditions
        #y1 = 0.05;
        y2 = 0.38;


        OPTIONS
        time = [0:100:4000]; #integration time
        relativeAccuracy = 1e-5; #relative tolerance
        absoluteAccuracy = 1e-8; #absolute tolerance
end