COMPLEX CHEMICAL EQUILIBRIUM BY GIBBS ENERGY MINIMIZATION 4.(b2) |POLVER05_3 |2 f(lamda1) = 2 * CO2 + CO + 2 * O2 + H2O - 4 # Oxygen balance f(lamda2) = 4 * CH4 + 4 * C2H4 + 2 * C2H2 + 2 * H2 + 2 * H2O + 6 * C2H6 - 14 # Hydrogen balance f(lamda3) = CH4 + 2 * C2H4 + 2 * C2H2 + CO2 + CO + 2 * C2H6 - 2 # Carbon balance f(H2) = ln(H2 / sum) + 2 * lamda2 f(H2O) = -46.03 / R + ln(H2O / sum) + lamda1 + 2 * lamda2 f(CO) = -47.942 / R + ln(CO / sum) + lamda1 + lamda3 f(CO2) = -94.61 / R + ln(CO2 / sum) + 2 * lamda1 + lamda3 f(CH4) = 4.61 / R + ln(CH4 / sum) + 4 * lamda2 + lamda3 f(C2H6) = 26.13 / R + ln(C2H6 / sum) + 6 * lamda2 + 2 * lamda3 f(C2H4) = 28.249 / R + ln(C2H4 / sum) + 4 * lamda2 + 2 * lamda3 f(C2H2) = C2H2 - exp(-(40.604 / R + 2 * lamda2 + 2 * lamda3)) * sum f(O2) = O2 - exp(-2 * lamda1) * sum R = 1.9872 sum = H2 + O2 + H2O + CO + CO2 + CH4 + C2H6 + C2H4 + C2H2 # Calculation of the objective function G_O2 = O2 * ln(abs(O2 / sum)) G_H2 = H2 * ln(H2 / sum) G_H2O = H2O * (-46.03 / R + ln(H2O / sum)) G_CO = CO * (-47.942 / R + ln(CO / sum)) G_CO2 = CO2 * (-94.61 / R + ln(CO2 / sum)) G_CH4 = CH4 * (4.61 / R + ln(abs(CH4 / sum))) G_C2H6 = C2H6 * (26.13 / R + ln(abs(C2H6 / sum))) G_C2H4 = C2H4 * (28.249 / R + ln(abs(C2H4 / sum))) G_C2H2 = C2H2 * (40.604 / R + ln(abs(C2H2 / sum))) ObjFun = G_H2 + G_H2O + G_CO + G_O2 + G_CO2 + G_CH4 + G_C2H6 + G_C2H4 + G_C2H2 H2(0) = 5.992 O2(0) = 0.0001 > 0 H2O(0) = 1 CO(0) = 1 CH4(0) = 0.001 > 0 C2H4(0) = 0.001 > 0 C2H2(0) = 0.001 > 0 CO2(0) = 0.993 C2H6(0) = 0.001 > 0 lamda1(0) = 10 lamda2(0) = 10 lamda3(0) = 10