# 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