# 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