An algebraic method that includes Gibbs minimization for performing phase equilibrium calculations for any number of components or phases

被引:39
作者
Iglesias-Silva, GA
Bonilla-Petriciolet, A
Eubank, PT
Holste, JC
Hall, KR [1 ]
机构
[1] Inst Tecnol Celaya, Dept Ingn Quim, Celaya 38010, Gto, Mexico
[2] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA
关键词
phase equilibrium; Gibbs minimization; equation of state;
D O I
10.1016/S0378-3812(03)00171-7
中图分类号
O414.1 [热力学];
学科分类号
摘要
The most widely used technique for performing phase equilibria calculations is the K-value method (equality of chemical potentials). This paper proposes a more efficient algorithm to achieve the results that includes Gibbs minimization when we know the number of phases. Using the orthogonal derivatives, the tangent plane equation and mass balances, it is possible to reduce the Gibbs minimization procedure to the task of finding the solution of a system of non-linear equations. Such an operation is easier and faster than finding tangents or areas, and appears to converge as fast as the K-value method. Examples illustrate application of the new technique to two and three phases in equilibrium for binary and ternary mixtures. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:229 / 245
页数:17
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