72 lines
1.5 KiB
Matlab
72 lines
1.5 KiB
Matlab
function [ F ] = batch( t,c )
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cI = c(1);
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cA = c(2);
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cA_R = c(3);
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cB = c(4);
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cB_R = c(5);
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%%
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V = 15; % L
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cA_0 = 3.5; % mol/L
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pA = 0.90; % kg/L
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pB = 0.94; % kg/L
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MA = 0.104; % kg/mol
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MB = 0.1; % kg/mol
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mA_0 = cA_0*V*MA; % kg
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VA_0 = mA_0/pA; % L
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mB_0 = (V-VA_0)*pB; % kg
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cB_0 = mB_0/(MB*V); % mol/L
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f = 0.5;
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C_eta = 25;
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C_RD = 180;
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kd = 6.77e-6; % s^(-1)
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kp_AA_0 = 4.1e2; % L/(mol s)
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kp_AD_0 = 2e11; % L/(mol s)
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kt_AA_0 = 2.4e7; % L/(mol s)
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kt_AD_0 = 5e8; % L/(mol s)
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kp_BB_0 = 9.3e2; % L/(mol s)
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kp_BD_0 = 2e11; % L/(mol s)
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kt_BB_0 = 9.2e6; % L/(mol s)
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kt_BD_0 = 5e8; % L/(mol s)
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rA = 0.52;
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rB = 0.46;
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%%
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wp = (MA*V*(cA_0-c(2))+MB*V*(cB_0-c(4)))/(mA_0+mB_0);
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kp_AA = 1/(1/kp_AA_0 + exp(C_eta*wp)/kp_AD_0);
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kt_AA = 1/(1/kt_AA_0 + exp(C_eta*wp)/kt_AD_0) + C_RD*kp_AA*(1-wp);
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kp_BB = 1/(1/kp_BB_0 + exp(C_eta*wp)/kp_BD_0);
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kt_BB = 1/(1/kt_BB_0 + exp(C_eta*wp)/kt_BD_0) + C_RD*kp_BB*(1-wp);
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kp_AB = kp_AA/rA;
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kt_AB = sqrt(kt_AA*kt_BB);
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kp_BA = kp_BB/rB;
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kt_BA = kt_AB;
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%%
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dcI = - kd*cI;
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dcA = - kp_AA*cA*cA_R - kp_BA*cA*cB_R;
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dcA_R = + 2*f*kd*cI*(cA/(cA+cB)) - kt_AA*cA_R^2 - kt_AB*cA_R*cB_R - kp_AB*cA_R*cB + kp_BA*cB_R*cA;
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dcB = - kp_BB*cB*cB_R - kp_AB*cB*cA_R;
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dcB_R = + 2*f*kd*cI*(cB/(cA+cB)) - kt_BB*cB_R^2 - kt_BA*cA_R*cB_R - kp_BA*cB_R*cA + kp_AB*cA_R*cB;
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%%
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F = [dcI; dcA; dcA_R; dcB; dcB_R];
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end
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