CIESC Journal

• 化工学报 • 上一篇    下一篇

多相多组元化学平衡相平衡计算(Ⅱ)——新算法GCG法

周维彪,许志宏   

  1. 中国科学院化工冶金研究所 ,中国科学院化工冶金研究所
  • 出版日期:1987-03-25 发布日期:1987-03-25

Calculation of Multicomponent MultiphaseEquilibria (Ⅱ) A New General Method GCG

Zhou Weibiao and Xu Zhihong (Institute of Chemical Metallurgy, ACADEMIA SINICA)   

  • Online:1987-03-25 Published:1987-03-25

摘要: 应用非线性规划的共轭梯度投影法,并结合化学平衡相平衡问题的特殊性,本文设计了一个新的多相多组元化学平衡相平衡通用计算方——GCG法.检验表明,它在大多数情况下(特别是对非理想体系)优于现存的RVCS、SVMP和M-SVMP三种通用算法.

Abstract: Based upon the conjugate gradient projection algorithm of nonlinear programming, a new general method-GCG was constructed with two treatments according to the peculiarity of chemical equilibria calculation. The first treatment was that a special relation between iteration and linear searching was set up, according to the ideality of the system. The second was that a method of determining the initial active set in algorithm was designed for equilibria problems. The results of calculation showed that for most non-ideal systems, it was very efficient.