A hierarchical approach for fast and accurate equilibrium calculation

被引：33

作者：

Colonna, G

D'Angola, A

机构：

[1] Univ Bari, CNR, Bari Sect, IMIP, I-70126 Bari, Italy

[2] Univ Bari, Dipartimento Chim, I-70126 Bari, Italy

[3] Univ Basilicata, Dipartimento Ingn & Fis Ambiente, I-85100 Potenza, Italy

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2004年 / 163卷 / 03期

关键词：

homogeneous gas phase equilibrium; chemical equilibrium; method of calculation; plasma composition; stoichiometric algorithm;

D O I：

10.1016/j.cpc.2004.08.004

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

In the present paper an improved stoichiometric algorithm based on the successive single reaction equilibrium has been described, avoiding the solution of large systems. The algorithm calculates the equilibrium composition adding automatically suitable new reactions to improve the convergence. The algorithm has been tested for plasma composition calculation for a pure nitrogen and air plasma mixtures. The algorithm proposed always converges and it is significantly faster than other hierarchical algorithms. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：177 / 190

页数：14

共 14 条

[1] Constrained-equilibrium calculations for chemical systems subject to generalized linear constraints using the NASA and STANJAN equilibrium programs [J].