复杂体系化学平衡组成计算方法  

COMPUTATION METHOD OF CHEMICAL EQUILIBRIUM OF COMPLEX SYSTEM

作　　者：邓文生[1] 贾冬梅[1] 张青山[1] 李民丽[2] 

机构地区：[1]北京理工大学化工与环境学院,北京100081 [2]首都师范大学数学系,北京100037

出　　处：《化工学报》2004年第10期1706-1709,共4页CIESC Journal

摘　　要：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 showed 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 showed 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.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.

关 键 词：化学平衡 蒙特卡罗法 遗传算法 

分 类 号：TQ013[化学工程]