TY - JOUR
T1 - Computation method of chemical equilibrium of complex system
AU - Deng, Wensheng
AU - Jia, Dongmei
AU - Zhang, Qingshan
AU - Li, Minli
PY - 2004/10
Y1 - 2004/10
N2 - The chaos-Monte Carlo algorithm (CMCA) was proposed for solving chemical equilibrium of complex system. By introducing random well-distributed points into the Monte Carlo algorithm, this new approach shows good convergent probability and high-speed. Equilibrium composition of some complex systems, such as methanol synthesis, ammonia oxidation, and Claus process were calculated. The results show good agreement with Liu Xiaodi's and Xu Jinhuo's calculations. Compared with the gradient method, the genetic algorithm and the modified genetic algorithm, the CMCA is simple, general and insensitive to initial value. It is an efficient algorithm based on the theory of minimization of Gibbs free energy to solve chemical equilibrium of complex system.
AB - The chaos-Monte Carlo algorithm (CMCA) was proposed for solving chemical equilibrium of complex system. By introducing random well-distributed points into the Monte Carlo algorithm, this new approach shows good convergent probability and high-speed. Equilibrium composition of some complex systems, such as methanol synthesis, ammonia oxidation, and Claus process were calculated. The results show good agreement with Liu Xiaodi's and Xu Jinhuo's calculations. Compared with the gradient method, the genetic algorithm and the modified genetic algorithm, the CMCA is simple, general and insensitive to initial value. It is an efficient algorithm based on the theory of minimization of Gibbs free energy to solve chemical equilibrium of complex system.
KW - Chemical equilibrium
KW - Genetic algorithm
KW - Monte Carlo algorithm
UR - http://www.scopus.com/inward/record.url?scp=11444256768&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:11444256768
SN - 0438-1157
VL - 55
SP - 1706
EP - 1709
JO - Huagong Xuebao/CIESC Journal
JF - Huagong Xuebao/CIESC Journal
IS - 10
ER -