Acta Chimica Sinica ›› 2002, Vol. 60 ›› Issue (8): 1415-1418. Previous Articles     Next Articles

Original Articles

一种判断电化学/化学反应体系热力学自洽性的新方法

邓兆祥;林祥钦;童中华   

  1. 中国科学技术大学化学系,合肥(230026)
  • 发布日期:2002-08-15

A New Algorithm for Judgment of the Thermodynamic Self-Consistency of an Electrochemical/Chemical Reactions System

Deng Zhaoxiang;Lin Xiangqin;Tong Zhonghua   

  1. Department of Chemistry, University of Science and Technology of China,Hefei(230026)
  • Published:2002-08-15

A new algorithm, which is called "rank method", for the judgment of the thermodynamic self-consistency of an electrochemical/chemical reactions system has been developed. The theory and computation procedures were described in detail, and a calculation example was given. This algorithm employs the rank of the reaction coefficient matrix to directly judge the number of independent reactions, and only when a dependent reaction is found it is necessary to solve the corresponding equations. Therefore, this "rank method" is conceptually and technically more simple and straightforward. In addition, since subroutines for matrix manipulation could be called directly, the corresponding programming is especially easy. This method would find applications in the areas of electrochemistry, chemistry and chemical engineering.

Key words: THERMODYNAMICS, SELF-CONSISTENT FIELD, ELECTROCHEMISTRY

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