function [VOI, STATES, ALGEBRAIC, CONSTANTS] = mainFunction() % This is the "main function". In Matlab, things work best if you rename this function to match the filename. [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel(); end function [algebraicVariableCount] = getAlgebraicVariableCount() % Used later when setting a global variable with the number of algebraic variables. % Note: This is not the "main method". algebraicVariableCount =16; end % There are a total of 6 entries in each of the rate and state variable arrays. % There are a total of 11 entries in the constant variable array. % function [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel() % Create ALGEBRAIC of correct size global algebraicVariableCount; algebraicVariableCount = getAlgebraicVariableCount(); % Initialise constants and state variables [INIT_STATES, CONSTANTS] = initConsts; % Set timespan to solve over tspan = [0, 10]; % Set numerical accuracy options for ODE solver options = odeset('RelTol', 1e-06, 'AbsTol', 1e-06, 'MaxStep', 1); % Solve model with ODE solver [VOI, STATES] = ode15s(@(VOI, STATES)computeRates(VOI, STATES, CONSTANTS), tspan, INIT_STATES, options); % Compute algebraic variables [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS); ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI); % Plot state variables against variable of integration [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends(); figure(); plot(VOI, STATES); xlabel(LEGEND_VOI); l = legend(LEGEND_STATES); set(l,'Interpreter','none'); end function [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends() LEGEND_STATES = ''; LEGEND_ALGEBRAIC = ''; LEGEND_VOI = ''; LEGEND_CONSTANTS = ''; LEGEND_VOI = strpad('t in component main (second)'); LEGEND_CONSTANTS(:,1) = strpad('RT in component main (J_per_mol)'); LEGEND_STATES(:,1) = strpad('q_1 in component main (mole)'); LEGEND_STATES(:,2) = strpad('q_2 in component main (mole)'); LEGEND_STATES(:,3) = strpad('q_3 in component main (mole)'); LEGEND_STATES(:,4) = strpad('q_4 in component main (mole)'); LEGEND_STATES(:,5) = strpad('q_e0 in component main (mole)'); LEGEND_STATES(:,6) = strpad('q_e1 in component main (mole)'); LEGEND_ALGEBRAIC(:,15) = strpad('v_1 in component main (mol_per_s)'); LEGEND_ALGEBRAIC(:,16) = strpad('v_2 in component main (mol_per_s)'); LEGEND_ALGEBRAIC(:,1) = strpad('u_1 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,3) = strpad('u_2 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,5) = strpad('u_3 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,7) = strpad('u_4 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,9) = strpad('u_e0 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,12) = strpad('u_e1 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,10) = strpad('u_f_1 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,13) = strpad('u_r_1 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,14) = strpad('u_f_2 in component main (J_per_mol)'); LEGEND_ALGEBRAIC(:,11) = strpad('u_r_2 in component main (J_per_mol)'); LEGEND_CONSTANTS(:,2) = strpad('K_q_1 in component main (per_mol)'); LEGEND_CONSTANTS(:,3) = strpad('K_q_2 in component main (per_mol)'); LEGEND_CONSTANTS(:,4) = strpad('K_q_3 in component main (per_mol)'); LEGEND_CONSTANTS(:,5) = strpad('K_q_4 in component main (per_mol)'); LEGEND_CONSTANTS(:,6) = strpad('K_q_e0 in component main (per_mol)'); LEGEND_CONSTANTS(:,7) = strpad('K_q_e1 in component main (per_mol)'); LEGEND_CONSTANTS(:,8) = strpad('kappa_1 in component main (mol_per_s)'); LEGEND_CONSTANTS(:,9) = strpad('kappa_2 in component main (mol_per_s)'); LEGEND_ALGEBRAIC(:,2) = strpad('q_e_tot in component main (mole)'); LEGEND_ALGEBRAIC(:,4) = strpad('A_f in component main (per_mol3_per_s)'); LEGEND_ALGEBRAIC(:,6) = strpad('A_r in component main (per_mol3_per_s)'); LEGEND_CONSTANTS(:,10) = strpad('B_f in component main (per_mol3)'); LEGEND_CONSTANTS(:,11) = strpad('B_r in component main (per_mol3)'); LEGEND_ALGEBRAIC(:,8) = strpad('v_SS in component main (mol_per_s)'); LEGEND_RATES(:,1) = strpad('d/dt q_1 in component main (mole)'); LEGEND_RATES(:,2) = strpad('d/dt q_2 in component main (mole)'); LEGEND_RATES(:,3) = strpad('d/dt q_3 in component main (mole)'); LEGEND_RATES(:,4) = strpad('d/dt q_4 in component main (mole)'); LEGEND_RATES(:,5) = strpad('d/dt q_e0 in component main (mole)'); LEGEND_RATES(:,6) = strpad('d/dt q_e1 in component main (mole)'); LEGEND_STATES = LEGEND_STATES'; LEGEND_ALGEBRAIC = LEGEND_ALGEBRAIC'; LEGEND_RATES = LEGEND_RATES'; LEGEND_CONSTANTS = LEGEND_CONSTANTS'; end function [STATES, CONSTANTS] = initConsts() VOI = 0; CONSTANTS = []; STATES = []; ALGEBRAIC = []; CONSTANTS(:,1) = 2578.73058; STATES(:,1) = 3; STATES(:,2) = 1; STATES(:,3) = 0; STATES(:,4) = 0; STATES(:,5) = 1; STATES(:,6) = 1; CONSTANTS(:,2) = 2; CONSTANTS(:,3) = 2; CONSTANTS(:,4) = 2; CONSTANTS(:,5) = 2; CONSTANTS(:,6) = 2; CONSTANTS(:,7) = 2; CONSTANTS(:,8) = 0.20; CONSTANTS(:,9) = 0.1; CONSTANTS(:,10) = (( (CONSTANTS(:,6)./CONSTANTS(:,7)).*CONSTANTS(:,8))./(CONSTANTS(:,8)+CONSTANTS(:,9))).*CONSTANTS(:,2).*power(CONSTANTS(:,3), 2.00000); CONSTANTS(:,11) = (( (CONSTANTS(:,6)./CONSTANTS(:,7)).*CONSTANTS(:,8))./(CONSTANTS(:,8)+CONSTANTS(:,9))).*CONSTANTS(:,4).*power(CONSTANTS(:,5), 2.00000); if (isempty(STATES)), warning('Initial values for states not set');, end end function [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS) global algebraicVariableCount; statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; ALGEBRAIC = zeros(1, algebraicVariableCount); utilOnes = 1; else statesRowCount = statesSize(1); ALGEBRAIC = zeros(statesRowCount, algebraicVariableCount); RATES = zeros(statesRowCount, statesColumnCount); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = CONSTANTS(:,1).*log( CONSTANTS(:,2).*STATES(:,1)); ALGEBRAIC(:,3) = CONSTANTS(:,1).*log( CONSTANTS(:,3).*STATES(:,2)); ALGEBRAIC(:,9) = CONSTANTS(:,1).*log( CONSTANTS(:,6).*STATES(:,5)); ALGEBRAIC(:,10) = ALGEBRAIC(:,1)+ 2.00000.*ALGEBRAIC(:,3)+ALGEBRAIC(:,9); ALGEBRAIC(:,12) = CONSTANTS(:,1).*log( CONSTANTS(:,7).*STATES(:,6)); ALGEBRAIC(:,13) = ALGEBRAIC(:,12); ALGEBRAIC(:,15) = CONSTANTS(:,8).*(exp(ALGEBRAIC(:,10)./CONSTANTS(:,1)) - exp(ALGEBRAIC(:,13)./CONSTANTS(:,1))); RATES(:,1) = - ALGEBRAIC(:,15); RATES(:,2) = - 2.00000.*ALGEBRAIC(:,15); ALGEBRAIC(:,14) = ALGEBRAIC(:,12); ALGEBRAIC(:,5) = CONSTANTS(:,1).*log( CONSTANTS(:,4).*STATES(:,3)); ALGEBRAIC(:,7) = CONSTANTS(:,1).*log( CONSTANTS(:,5).*STATES(:,4)); ALGEBRAIC(:,11) = ALGEBRAIC(:,5)+ 2.00000.*ALGEBRAIC(:,7)+ALGEBRAIC(:,9); ALGEBRAIC(:,16) = CONSTANTS(:,9).*(exp(ALGEBRAIC(:,14)./CONSTANTS(:,1)) - exp(ALGEBRAIC(:,11)./CONSTANTS(:,1))); RATES(:,3) = ALGEBRAIC(:,16); RATES(:,4) = 2.00000.*ALGEBRAIC(:,16); RATES(:,5) = ALGEBRAIC(:,16) - ALGEBRAIC(:,15); RATES(:,6) = ALGEBRAIC(:,15) - ALGEBRAIC(:,16); RATES = RATES'; end % Calculate algebraic variables function ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI) statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; utilOnes = 1; else statesRowCount = statesSize(1); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = CONSTANTS(:,1).*log( CONSTANTS(:,2).*STATES(:,1)); ALGEBRAIC(:,3) = CONSTANTS(:,1).*log( CONSTANTS(:,3).*STATES(:,2)); ALGEBRAIC(:,9) = CONSTANTS(:,1).*log( CONSTANTS(:,6).*STATES(:,5)); ALGEBRAIC(:,10) = ALGEBRAIC(:,1)+ 2.00000.*ALGEBRAIC(:,3)+ALGEBRAIC(:,9); ALGEBRAIC(:,12) = CONSTANTS(:,1).*log( CONSTANTS(:,7).*STATES(:,6)); ALGEBRAIC(:,13) = ALGEBRAIC(:,12); ALGEBRAIC(:,15) = CONSTANTS(:,8).*(exp(ALGEBRAIC(:,10)./CONSTANTS(:,1)) - exp(ALGEBRAIC(:,13)./CONSTANTS(:,1))); ALGEBRAIC(:,14) = ALGEBRAIC(:,12); ALGEBRAIC(:,5) = CONSTANTS(:,1).*log( CONSTANTS(:,4).*STATES(:,3)); ALGEBRAIC(:,7) = CONSTANTS(:,1).*log( CONSTANTS(:,5).*STATES(:,4)); ALGEBRAIC(:,11) = ALGEBRAIC(:,5)+ 2.00000.*ALGEBRAIC(:,7)+ALGEBRAIC(:,9); ALGEBRAIC(:,16) = CONSTANTS(:,9).*(exp(ALGEBRAIC(:,14)./CONSTANTS(:,1)) - exp(ALGEBRAIC(:,11)./CONSTANTS(:,1))); ALGEBRAIC(:,2) = STATES(:,5)+STATES(:,6); ALGEBRAIC(:,4) = (( ALGEBRAIC(:,2).*CONSTANTS(:,6).*CONSTANTS(:,8).*CONSTANTS(:,9))./(CONSTANTS(:,8)+CONSTANTS(:,9))).*CONSTANTS(:,2).*power(CONSTANTS(:,3), 2.00000); ALGEBRAIC(:,6) = (( ALGEBRAIC(:,2).*CONSTANTS(:,6).*CONSTANTS(:,8).*CONSTANTS(:,9))./(CONSTANTS(:,8)+CONSTANTS(:,9))).*CONSTANTS(:,4).*power(CONSTANTS(:,5), 2.00000); ALGEBRAIC(:,8) = ( ALGEBRAIC(:,4).*STATES(:,1).*power(STATES(:,2), 2.00000) - ALGEBRAIC(:,6).*STATES(:,3).*power(STATES(:,4), 2.00000))./(1.00000+ CONSTANTS(:,10).*STATES(:,1).*power(STATES(:,2), 2.00000)+ CONSTANTS(:,11).*STATES(:,3).*power(STATES(:,4), 2.00000)); end % Pad out or shorten strings to a set length function strout = strpad(strin) req_length = 160; insize = size(strin,2); if insize > req_length strout = strin(1:req_length); else strout = [strin, blanks(req_length - insize)]; end end