%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 }