Improvements of hierarchical algorithm for equilibrium calculation

被引：31

作者：

Colonna, Gianpiero ^{[1
]}

机构：

[1] Univ Bari, Bari Sect, IMIP, CNR, I-70121 Bari, Italy

[2] Univ Bari, Dipartimento Chim, I-70121 Bari, Italy

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2007年 / 177卷 / 06期

关键词：

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

D O I：

10.1016/j.cpc.2007.01.012

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The hierarchical method for chemical equilibrium computation consists in calculating the equilibrium composition one reaction per time. The algorithm has been proved to be very efficient and accurate. The method presents some problems in extreme conditions due to truncation errors. Some solutions have been proposed to overcome such problems, making the hierarchical approach fast and accurate in all the conditions. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：493 / 499

页数：7

共 7 条

[1]

CASAVOLA A, 2005, 24 INT S RAREFIEL GA, P1007

[2] A hierarchical approach for fast and accurate equilibrium calculation [J].

Colonna, G ;

D'Angola, A .

COMPUTER PHYSICS COMMUNICATIONS, 2004, 163 (03) :177-190

[3] NOTES ON RAPID COMPUTATION OF CHEMICAL EQUILIBRIA [J].

CRUISE, DR .

JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (12) :3797-&

[4] PERFORMANCE OF ALGORITHMS FOR CALCULATING THE EQUILIBRIUM COMPOSITION OF A MIXTURE OF GASES [J].

MEINTJES, K ;

MORGAN, AP .

JOURNAL OF COMPUTATIONAL PHYSICS, 1985, 60 (02) :219-234

[5]

Smith W. R., 1982, Chemical Reaction Equilibrium Analysis: Theory and Algorithms

[6]

VILLARS DS, 1959, J PHYS CHEM-US, V60, P521

[7]

VILLARS DS, 1960, P 1 C KIN EQ PERF HI

← 1 →