#*-------------------------------------------------------------------
* 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.
*
*--------------------------------------------------------------------
* EMSO Sample file showing an Adiabatic Production of Acetic Anhydride with a PFR and recycle
*
*
* Based on Example 8-6 of Elements of Chemical Reaction Engineering
* Second Edition H. Scott Fogler
*
*
*--------------------------------------------------------------------
* 
* This sample file needs VRTherm (www.vrtech.com.br) to run.
*
*----------------------------------------------------------------------
* Author: Rafael de P. Soares
*         Paula B. Staudt
*		Gerson B. Bicca
* $Id: sample_process.mso 213 2007-03-15 19:40:55Z rafael $
*--------------------------------------------------------------------*#
using "heat_exchangers/heater";
using "heat_exchangers/Mheatex";
using "reactors/pfr";

FlowSheet AceticAnhydride_Process
	
PARAMETERS

	PP   		as Plugin (Brief="Physical Properties",
		Type = "PP",
		Components = ["acetone", "acetic anhydride", "methane"],
		LiquidModel = "PR",
		VapourModel = "PR"
	);
	NComp 	as Integer;

DEVICES

	Feed			as simple_source; 		# A Feed Stream
	Mheater			as Mheatex;	# A Multi-stream Heat Exchanger
	Cooler 			as cooler;		# A Cooler
	Heater 			as heater;		# A heater
	Reac 			as pfr;				# A PFR Reactor
	Product			as sink;			# Product
	Heat_1 			as energy_source; # Heat Supplied
	Cold_2 			as energy_source; # Cold Supplied
SET

	NComp 					= PP.NumberOfComponents;
	Mheater.Nhot          	= 1;
    Mheater.Ncold         	= 1;
	Heater.Ninlet   		= 1;
	Cooler.Ninlet   		= 1;
	Heater.Kvalues   		= "no";# Faster convergence
	Cooler.Kvalues  		= "no";# Faster convergence
	Mheater.FlowDirection	= "counter";
	
	Reac.NDisc 	= 10;
	Reac.Across = 0.7 * 'in^2';
	Reac.L 		= 2.28 * 'm';
	Reac.NReac 	= 1;

# Reaction 1: A -> B + C
	Reac.stoic(:,1) = [-1, 1, 1];

EQUATIONS

for z in [1:Reac.NDisc]
	
"Reaction Rate = k*C(1)"
	Reac.r(1,z)  = exp(34.34 - (34222 * 'K') / Reac.str(z).T)*'1/s' * Reac.C(1,z);

"Heat of reaction"
	Reac.Hr(1,z) = -80.77 * 'kJ/mol';

"Pressure Drop (no pressure drop)"
	Reac.str(z+1).P = Reac.str(z).P;

end

SPECIFY

	Feed.Outlet.F = 1 * 'kmol/h';
	Feed.Outlet.T = 350 * 'K';
	Feed.Outlet.P = 1.6  * 'atm';
	Feed.Outlet.z = [1, 0, 0];

	Mheater.Method.Fc   		= 1;
	Mheater.OutletCold(1).T		= 400*'K';
	
	Mheater.OutletHot(1).P   	= 1.5 * 'atm';
	Mheater.OutletCold(1).P   	= 1.6 * 'atm';

	Heater.Outlet.T 	= 1035*'K';
	Heater.Outlet.P 	=  1.6 * 'atm';
	
	Cooler.Outlet.T 	= 400*'K';
	Cooler.Outlet.P 	=  1.5 * 'atm';

	Reac.q     		= 0     * 'J/s';

CONNECTIONS

	Feed.Outlet  				to  Mheater.InletCold(1); 
	Mheater.OutletCold(1) 		to  Heater.Inlet(1);
	Heater.Outlet	  			to  Reac.Inlet;
	Reac.Outlet  				to  Mheater.InletHot(1);
	Mheater.OutletHot(1) 		to  Cooler.Inlet(1);
	Cooler.Outlet				to  Product.Inlet;
	Heat_1.OutletQ 				to Heater.InletQ;
	Cold_2.OutletQ 				to Cooler.InletQ;

INITIAL

for z in [2:Reac.NDisc+1]
	
	Reac.str(z).T = Reac.Inlet.T;
	Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1);

end

OPTIONS
	TimeStep 	= 0.05;
	TimeEnd 	= 10;
	Dynamic = true;
	DAESolver(
		File = "dasslc",
		RelativeAccuracy = 1e-4
	);
end