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

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

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

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- Calculation of Multicomponent MultiphaseEquilibria (Ⅱ) A New General Method GCG
- CIESC Journal Issue 1, (1987)
- 作者机构：
  
  中国科学院化工冶金研究所,中国科学院化工冶金研究所
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 March 1987，
  
  Published：25 March 1987
- 稿件说明：
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Zhou Weibiao and Xu Zhihong(Institute of Chemical Metallurgy, ACADEMIA SINICA). Calculation of Multicomponent MultiphaseEquilibria (Ⅱ) A New General Method GCG[J]. CIESC Journal, 1987, (1).
DOI：

Zhou Weibiao and Xu Zhihong(Institute of Chemical Metallurgy, ACADEMIA SINICA). Calculation of Multicomponent MultiphaseEquilibria (Ⅱ) A New General Method GCG[J]. CIESC Journal, 1987, (1). DOI：

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.

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