A MODIFICATION OF NEWTON-RAPHSON ALGORITHM FOR PHASE-EQUILIBRIA CALCULATIONS USING NUMERICAL DIFFERENTIATION OF THE GIBBS ENERGY

被引：13

作者：

DEITERS, UK

机构：

[1] Ruhr-Univ Bochum, Bochum, West Ger, Ruhr-Univ Bochum, Bochum, West Ger

来源：

FLUID PHASE EQUILIBRIA | 1985年 / 19卷 / 03期

关键词：

EQUATIONS OF STATE - Liquids - FLUIDS - Thermodynamics - PHYSICAL CHEMISTRY - Mathematical Models;

D O I：

10.1016/0378-3812(85)87022-9

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

For the solution of the system of nonlinear equations describing the phase equilibrium conditions in fluid mixtures a modified Newton-Raphson method is proposed, which uses numerical differentiation to obtain the chemical potentials. For binary mixtures the new algorithm is a little faster, because the same intermediate results that are required for the chemical potentials are also used for the construction of the Jacobian matrix.

引用

页码：287 / 293

页数：7

共 3 条

[1] A NEW SEMI-EMPIRICAL EQUATION OF STATE FOR FLUIDS .3. APPLICATION TO PHASE-EQUILIBRIA IN BINARY-MIXTURES [J].

DEITERS, U .

CHEMICAL ENGINEERING SCIENCE, 1982, 37 (06) :855-861

[2] CALCULATION OF FLUID-FLUID AND SOLID-FLUID PHASE-EQUILIBRIA IN BINARY-MIXTURES AT HIGH-PRESSURES [J].

DEITERS, UK ;

SWAID, I .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1984, 88 (09) :791-796

[3] COMPUTATION OF HIGH-PRESSURE PHASE-EQUILIBRIA [J].

HEIDEMANN, RA .

FLUID PHASE EQUILIBRIA, 1983, 14 (OCT) :55-78

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