Deiters, U.K., 1985. A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the Gibbs energy. Fluid Phase Equilibria, 19: 287-293.
For the solution of the system of nonlinear equation 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 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.
Description
ScienceDirect - Fluid Phase Equilibria : A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the gibbs energy
%0 Journal Article
%1 Deiters1985287
%A Deiters, Ulrich K.
%D 1985
%J Fluid Phase Equilibria
%K 1985 Gibbs algorithm equilibrium
%N 3
%P 287 - 293
%R 10.1016/0378-3812(85)87022-9
%T A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the gibbs energy
%U http://dx.doi.org/10.1016/0378-3812(85)87022-9
%V 19
%X Deiters, U.K., 1985. A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the Gibbs energy. Fluid Phase Equilibria, 19: 287-293.
For the solution of the system of nonlinear equation 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 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.
@article{Deiters1985287,
abstract = {Deiters, U.K., 1985. A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the Gibbs energy. Fluid Phase Equilibria, 19: 287-293.
For the solution of the system of nonlinear equation 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 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.},
added-at = {2011-06-10T14:04:50.000+0200},
author = {Deiters, Ulrich K.},
biburl = {https://www.bibsonomy.org/bibtex/227b3f1f4ff5d0c31be7a052b5c90e145/thorade},
description = {ScienceDirect - Fluid Phase Equilibria : A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the gibbs energy},
doi = {10.1016/0378-3812(85)87022-9},
interhash = {0a645fd94a12ac4c154faaf3c3d9d30a},
intrahash = {27b3f1f4ff5d0c31be7a052b5c90e145},
issn = {0378-3812},
journal = {Fluid Phase Equilibria},
keywords = {1985 Gibbs algorithm equilibrium},
number = 3,
pages = {287 - 293},
timestamp = {2011-06-10T14:04:50.000+0200},
title = {A modification of Newton-Raphson algorithm for phase equilibria calculations using numerical differentiation of the gibbs energy},
url = {http://dx.doi.org/10.1016/0378-3812(85)87022-9},
volume = 19,
year = 1985
}