2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
91 lines
2.2 KiB
Matlab
91 lines
2.2 KiB
Matlab
% SURFREACTOR Zero-dimensional reactor with surface chemistry
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%
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% This example illustrates how to use class 'Reactor' for
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% zero-dimensional simulations including both homogeneous and
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% heterogeneous chemistry.
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help surfreactor
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t = 870.0;
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gas = importPhase('ptcombust.cti','gas');
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% set the initial conditions
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set(gas,'T',t,'P',oneatm,'X','CH4:0.01, O2:0.21, N2:0.78');
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% The surface reaction mechanism describes catalytic combustion of
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% methane on platinum, and is from Deutschman et al., 26th
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% Symp. (Intl.) on Combustion,1996, pp. 1747-1754
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surf = importInterface('ptcombust.cti','Pt_surf', gas);
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setTemperature(surf, t);
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nsp = nSpecies(gas);
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% create a reactor, and insert the gas
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r = Reactor(gas);
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setInitialVolume(r, 1.0e-6)
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% create a reservoir to represent the environment
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a = IdealGasMix('air.cti');
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set(a,'T',t,'P',oneatm);
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env = Reservoir(a);
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% Define a wall between the reactor and the environment and
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% make it flexible, so that the pressure in the reactor is held
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% at the environment pressure.
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w = Wall;
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install(w,r,env);
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% set the surface mechanism on the left side of the wall (facing
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% reactor 'r' to 'surf'. No surface mechanism will be installed on
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% the air side.
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setKinetics(w, surf, 0);
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% set the wall area and heat transfer coefficient.
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setArea(w, 1.0e-4);
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setHeatTransferCoeff(w,1.0e1); % W/m2/K
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% set expansion rate parameter. dV/dt = KA(P_1 - P_2)
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setExpansionRateCoeff(w, 1.0e2);
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network = ReactorNet({r});
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% setTolerances(network, 1.0e-8, 1.0e-12);
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t = 0;
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dt = 0.1;
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t0 = cputime;
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p0 = pressure(r);
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names = {'CH4','CO','CO2','H2O'};
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x = zeros([100 4]);
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for n = 1:100
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t = t + dt;
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advance(network, t);
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tim(n) = t;
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temp(n) = temperature(r);
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pres(n) = pressure(r) - p0;
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cov(n,:) = coverages(surf)';
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x(n,:) = moleFraction(gas,names);
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end
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disp(['CPU time = ' num2str(cputime - t0)]);
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clf;
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subplot(2,2,1);
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plot(tim,temp);
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xlabel('Time (s)');
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ylabel('Temperature (K)');
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subplot(2,2,2);
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plot(tim,pres);
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axis([0 5 -0.1 0.1]);
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xlabel('Time (s)');
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ylabel('Delta Pressure (Pa)');
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subplot(2,2,3);
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semilogy(tim,cov);
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xlabel('Time (s)');
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ylabel('Coverages');
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legend(speciesNames(surf));
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subplot(2,2,4);
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plot(tim,x);
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xlabel('Time (s)');
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ylabel('Mole Fractions');
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legend(names);
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clear all
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cleanup
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