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Acta Chimica Sinica ›› 2002, Vol. 60 ›› Issue (8): 1415-1418. Previous Articles Next Articles
Original Articles
邓兆祥;林祥钦;童中华
发布日期:
Deng Zhaoxiang;Lin Xiangqin;Tong Zhonghua
Published:
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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
CLC Number:
O642
Deng Zhaoxiang;Lin Xiangqin;Tong Zhonghua. A New Algorithm for Judgment of the Thermodynamic Self-Consistency of an Electrochemical/Chemical Reactions System[J]. Acta Chimica Sinica, 2002, 60(8): 1415-1418.
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