Computation method of chemical equilibrium of complex system

Wensheng Deng*, Dongmei Jia, Qingshan Zhang, Minli Li

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1706-1709
Number of pages4
JournalHuagong Xuebao/CIESC Journal
Volume55
Issue number10
Publication statusPublished - Oct 2004

Keywords

  • Chemical equilibrium
  • Genetic algorithm
  • Monte Carlo algorithm

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Deng, W., Jia, D., Zhang, Q., & Li, M. (2004). Computation method of chemical equilibrium of complex system. Huagong Xuebao/CIESC Journal, 55(10), 1706-1709.