#*-------------------------------------------------------------------
* 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.
*
*---------------------------------------------------------------------
* Membrane reactor
*----------------------------------------------------------------------
* Solved problem from Fogler (1999)
* Problem number: 4-10
* Page: 164 (Brazilian version, 2002)
*----------------------------------------------------------------------
*
*   Description:
*		Sample to calculate of the molar flows as function of the 
*	volume in a membrane reactor with a generic reaction of 
*	dehydrogenation:
*			A <-> B + C
*		The membrane is permeable to the B but it is not permeable to
*	the A and the C.
*	
*   Assumptions:
*		* change time in volume
*       * steady-state
*       * isotermic and isobaric system
*       * gaseous phase
*
*	Specify:
*		* the inlet stream
*		* the kinetic parameters
*
*----------------------------------------------------------------------
* Author: Christiano D. W. Guerra and Rodolfo Rodrigues
* $Id: membrane_reactor.mso 574 2008-07-25 14:18:50Z rafael $
*--------------------------------------------------------------------*#

using "types";


FlowSheet reactor
	PARAMETERS
	NComp 	as Integer 		(Brief="Number of chemical components", Lower=1);
	stoic(NComp)as Real		(Brief="Stoichiometric number");
	Kc  	as conc_mol		(Brief="Equilibrium constant", DisplayUnit='mol/l');
	kc  	as Real			(Brief="Mass transfer coefficient", Unit='1/min');
	R 		as Real			(Brief="Universal gas constant", Unit='atm*l/mol/K', Default=0.082);
	
	VARIABLES
	F(NComp)as flow_mol		(Brief="Molar flow", DisplayUnit='mol/min');
	C(NComp)as conc_mol		(Brief="Molar concentration", DisplayUnit='mol/l', Lower=0);
	r(NComp)as reaction_mol	(Brief="Rate of reaction", DisplayUnit='mol/l/min');
	Cto		as conc_mol		(Brief="Total inlet concentration", DisplayUnit='mol/l');
	k		as Real 		(Brief="Specific rate of reaction", Unit='1/min');
	V		as volume 		(Brief="Volume", DisplayUnit='l');
	
	T		as temperature	(Brief="Temperatura");
	P		as pressure		(Brief="Pressure");

	EQUATIONS
	"Change time in V"
	V = time*'l/s';
	
	"Molar balance for A"
	diff(F(1))*'s/l' = r(1);
	"Molar balance for B"
	diff(F(2))*'s/l' = r(2) - kc*C(2);
	"Molar balance for C"
	diff(F(3))*'s/l' = r(3);
	
	"Rate of reaction"
	r = stoic*k*(C(1) - C(2)*C(3)/Kc);

	"Molar concentration"
	C*sum(F) = Cto*F;
	
	"Total molar concentration"
	Cto = P/(R*T);
	
	SET
	NComp = 3; # A: propane, B: propylene and C: hydrogen
	stoic = [-1.0, 1.0, 1.0]; # A <-> B + C
	
	kc = 0.20*'1/min';
	Kc = 0.05*'mol/l';
	
	SPECIFY
	P = 8.2*'atm';	# Isobaric system
	T = 500*'K';	# Isotermic system
	
	k = 0.7*'1/min';

	INITIAL
	"Molar flow"
	F = [10, 0.0, 0.0]*'mol/min';

	OPTIONS
	TimeStep = 10;
	TimeEnd = 500;
	TimeUnit = 's';
end