function [ D ] = cumulative( t,c ) %% data V = 15; % L cA_0 = 3.5; % mol/L pA = 0.90; % kg/L pB = 0.94; % kg/L MA = 0.104; % kg/mol MB = 0.1; % kg/mol mA_0 = cA_0*V*MA; % kg VA_0 = mA_0/pA; % L mB_0 = (V-VA_0)*pB; % kg cB_0 = mB_0/(MB*V); % mol/L f = 0.5; C_eta = 25; C_RD = 180; kd = 6.77e-6; % s^(-1) kp_AA_0 = 4.1e2; % L/(mol s) kp_AD_0 = 2e11; % L/(mol s) kt_AA_0 = 2.4e7; % L/(mol s) kt_AD_0 = 5e8; % L/(mol s) kp_BB_0 = 9.3e2; % L/(mol s) kp_BD_0 = 2e11; % L/(mol s) kt_BB_0 = 9.2e6; % L/(mol s) kt_BD_0 = 5e8; % L/(mol s) rA = 0.52; rB = 0.46; C_t = 1000; %% h = length(t); for t1=1:1:h; c_A = c(t1,2); c_A_dot = c(t1,3); c_B = c(t1,4); c_B_dot = c(t1,5); c_R_dot = c_A_dot+c_B_dot; wp = (MA*V*(cA_0-c_A)+MB*V*(cB_0-c_B))/(mA_0+mB_0); kp_AA = 1/(1/kp_AA_0 + exp(C_eta*wp)/kp_AD_0); kt_AA = 1/(1/kt_AA_0 + exp(C_eta*wp)/kt_AD_0) + C_RD*kp_AA*(1-wp); kp_BB = 1/(1/kp_BB_0 + exp(C_eta*wp)/kp_BD_0); kt_BB = 1/(1/kt_BB_0 + exp(C_eta*wp)/kt_BD_0) + C_RD*kp_BB*(1-wp); kp_AB = kp_AA/rA; kt_AB = sqrt(kt_AA*kt_BB); kp_BA = kp_BB/rB; kt_BA = kt_AB; p_A = c_A_dot/c_R_dot; p_B = c_B_dot/c_R_dot; kpM = (kp_AA*p_A+kp_BA*p_B)*c_A+(kp_BB*p_B+kp_AB*p_A)*c_B; kt = kt_AA*p_A^2+2*kt_AB*p_A*p_B+kt_BB*p_B^2; ktc = kt/(1+C_t); ktd = kt-ktc; beta = ktc*c_R_dot/(kpM); gamma = ktd*c_R_dot/(kpM); alph = beta + gamma; R_p_A = (kp_AA*p_A+kp_BA*p_B)*c_A*c_R_dot; R_p_B = (kp_BB*p_B+kp_AB*p_A)*c_B*c_R_dot; R_p = R_p_A+R_p_B; dPdt(t1) = R_p*(gamma+beta/2); n_N(t1) = 1/(gamma+beta/2); n_W(t1) = 2*(gamma+1.5*beta)/alph^2; S1(t1) = n_W(t1)/n_N(t1); mu1(t1) = n_N(t1)*dPdt(t1); mu2(t1) = n_W(t1)*mu1(t1); F_A_1(t1) = (((rA*c_A+c_B)*c_A)/((rA*c_A+c_B)*c_A+(rB*c_B+c_A)*c_B)); F_A(t1) = (((rA*c_A+c_B)*c_A)/((rA*c_A+c_B)*c_A+(rB*c_B+c_A)*c_B))*dPdt(t1); end tspan = 0:1:length(t); for t1=2:1:length(t)-1; P_t(t1) = trapz(tspan(2:t1+1),dPdt(2:t1+1)); F_A_c(t1) = trapz(tspan(2:t1+1),F_A(2:t1+1))/P_t(t1); mu1c(t1) = trapz(tspan(2:t1+1),mu1(2:t1+1))/P_t(t1); mu2c(t1) = trapz(tspan(2:t1+1),mu2(2:t1+1))/P_t(t1); n_N_c(t1) = mu1c(t1); n_W_c(t1) = mu2c(t1)/mu1c(t1); S2(t1) = mu2c(t1)/(mu1c(t1)^2); end D = [F_A_1(1:end-1)' F_A_c' n_N_c' n_W_c' S2' n_N(1:end-1)' n_W(1:end-1)' S1(1:end-1)']; end