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.
112 lines
2.8 KiB
Matlab
Executable file
112 lines
2.8 KiB
Matlab
Executable file
% Tutorial 5: Reaction information and rates
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%
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% Topics:
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% - stoichiometric coefficients
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% - reaction rates of progress
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% - species production rates
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% - reaction equations
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% - equilibrium constants
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% - rate multipliers
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%
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help tut5
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g = GRI30;
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set(g,'T',1500,'P',oneatm,'X',ones(nSpecies(g),1));
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% Methods are provided that compute many quantities of interest for
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% kinetics. Some of these are:
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% 1) Stoichiometric coefficients
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nu_r = stoich_r(g) % reactant stoichiometric coefficient mstix
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nu_p = stoich_p(g) % product stoichiometric coefficient mstix
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nu_net = stoich_net(g) % net (product - reactant) stoichiometric
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% coefficient mstix
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% For any of these, the (k,i) matrix element is the stoichiometric
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% coefficient of species k in reaction i. Since these coefficient
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% matrices are very sparse, they are implemented as MATLAB sparse
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% matrices.
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% 2) Reaction rates of progress
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% Methods rop_f, rop_r, and rop_net return column vectors containing
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% the forward, reverse, and net (forward - reverse) rates of
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% progress, respectively, for all reactions.
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qf = rop_f(g);
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qr = rop_r(g);
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qn = rop_net(g);
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rop = [qf, qr, qn]
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% This plots the rates of progress
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figure(1);
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bar(rop);
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legend('forward','reverse','net');
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% 3) Species production rates
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% Methods creationRates, destructionRates, and netProdRates return
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% column vectors containing the creation, destruction, and net
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% production (creation - destruction) rates, respectively, for all species.
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cdot = creationRates(g);
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ddot = destructionRates(g);
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wdot = netProdRates(g);
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rates = [cdot, ddot, wdot]
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% This plots the production rates
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figure(2);
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bar(rates);
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legend('creation','destruction','net');
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% For comparison, the production rates may also be computed
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% directly from the rates of progress and stoichiometric
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% coefficients.
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cdot2 = nu_p*qf + nu_r*qr;
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creation = [cdot, cdot2, cdot - cdot2]
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ddot2 = nu_r*qf + nu_p*qr;
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destruction = [ddot, ddot2, ddot - ddot2]
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wdot2 = nu_net * qn;
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net = [wdot, wdot2, wdot - wdot2]
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% 4) Reaction equations
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e8 = reactionEqn(g,8) % equation for reaction 8
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e1_10 = reactionEqn(g,1:10) % equation for rxns 1 - 10
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eqs = reactionEqn(g) % all equations
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% 5) Equilibrium constants
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% The equilibrium constants are computed in concentration units,
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% with concentrations in kmol/m^3.
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kc = equil_Kc(g);
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for i = 1:nReactions(g)
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disp(sprintf('%50s %13.5g', eqs{i}, kc(i)))
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end
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% 6) Multipliers
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% For each reaction, a multiplier may be specified that is applied
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% to the forward rate coefficient. By default, the multiplier is
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% 1.0 for all reactions.
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for i = 1:nReactions(g)
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setMultiplier(g, i, 2*i);
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m = multiplier(g, i);
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end
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clear all
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cleanup
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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