#*-------------------------------------------------------------------
* EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC.
*
* This LIBRARY is free software; you can distribute it and/or modify
* it under the therms of the ALSOC FREE LICENSE as available at
* http://www.enq.ufrgs.br/alsoc.
*
* EMSO Copyright (C) 2004 - 2007 ALSOC, original code
* from http://www.rps.eng.br Copyright (C) 2002-2004.
* All rights reserved.
*
* EMSO is distributed under the therms of the ALSOC LICENSE as
* available at http://www.enq.ufrgs.br/alsoc.
*
*----------------------------------------------------------------------
* Author: Rafael de Pelegrini Soares
* $Id: sample_cstr_simple.mso 83 2006-12-08 20:29:34Z paula $
*---------------------------------------------------------------------*#

using "reactors/cstr";

FlowSheet CSTR

	PARAMETERS
	Fin as flow_vol;
	Fout as flow_vol;
	CA0 as conc_mol;
	CB0 as conc_mol;
	FA0 as flow_mol;
	FB0 as flow_mol;
	# Troca térmica
	Tw as temperature;
	U as heat_trans_coeff;
	A as area;
	# Reação
	k0 as frequency;
	Ea as energy_mol (Brief = "Energia de Ativação");
	R  as energy_mol;
	
	VARIABLES
	q as heat_rate;
	HR as energy_mol;
	T as temperature;
	k as frequency;
	CA as conc_mol;
	CB as conc_mol;
	V as volume;
	rA as reaction_mol;
	rB as reaction_mol;
	Cps as cp_mol; # (Unit="cal/mol/K");
	T0 as temperature;
	
	EQUATIONS
	
	"Troca térmica"
	q=U*A*(T-Tw); #j/s
	
	"Constante de Reação"
	k=k0*exp(Ea/R*(1/436.15 - 1*"K"/T));
	
	"Taxas de Reação"
	rA=-k*CA; # (mol/m^3/h)  >> reação de primeira ordem <<
	rB=-rA;
	
	"Calor de Reação"
	HR=-(80*250)*"cal/mol";
	
	"Cp da mistura"
	Cps=(0.5*250)*3;# *"cal/mol/K";
	
	"Balanço de Energia"
	diff(T)=((U*A*(Tw-T)-FA0*Cps*(T-T0)+HR*rA*V)/(CA0*V*Cps));
	
	"Bal. Material Global"
	diff(V)=Fin-Fout;
	
	"Bal. Material A"
	diff(V*CA)=(FA0-Fout*CA+V*rA);
	
	"Bal. Material B"
	diff(V*CB)=(FB0-Fout*CB+V*rB);
	
	"Temperatura da corrente de alimentação"
	T0= (40 + 273.15 + time*200/1000/"s") * "K";
	
	SET
	Fin = 0.125997903*"m^3/h";
	Fout = 0.125997903*"m^3/h";
	CA0=9.3652352*"mol/m^3";
	CB0=0*"mol/m^3";
	FA0 = Fin*CA0;
	FB0 = Fin*CB0;
	Tw = (140+273)*"K";
	k0=0.8*"1/h"; #constante para T=436.15 K
	Ea=28960*"cal/mol";
	R=1.98*"cal/mol/K";
	U = 0 *"cal/m^2/K/s";#isolado
	A = 1*"m^2"; 
	
	INITIAL
	T = (140 + 273) * "K";
	V = 0.9*6*"m^3";
	CA = 2*"mol/m^3";
	CB = 6*"mol/m^3";
	
	OPTIONS
	time = [0:10:1200];
end