%0 Journal Article %1 Bonilla-Petriciolet2008 %A Bonilla-Petriciolet, Adrián %A Iglesias-Silva, Gustavo A. %A Hall, Kenneth R. %D 2008 %J Fluid Phase Equilibria %K 2008 equilibrium multi-component two-phase %N 1-2 %P 48 - 55 %R 10.1016/j.fluid.2008.04.015 %T An effective calculation procedure for two-phase equilibria in multireaction systems %U http://dx.doi.org/10.1016/j.fluid.2008.04.015 %V 269 %X In this work, we present a method for the calculation of two-phase equilibria in multireaction systems. The procedure uses a transformed composition variable in the orthogonal derivatives of the Gibbs function and the tangent plane equation to form a system of non-linear equations. We solve this system with a Newton-Raphson method and our initialization procedure uses results from the reactive stability analysis and the reactive equal area rule. With this initialization strategy, convergence occurs with only a few iterations in the numerical method. Several examples with multiple chemical reactions demonstrate the performance of our approach.

@article{Bonilla-Petriciolet2008, abstract = {In this work, we present a method for the calculation of two-phase equilibria in multireaction systems. The procedure uses a transformed composition variable in the orthogonal derivatives of the Gibbs function and the tangent plane equation to form a system of non-linear equations. We solve this system with a Newton-Raphson method and our initialization procedure uses results from the reactive stability analysis and the reactive equal area rule. With this initialization strategy, convergence occurs with only a few iterations in the numerical method. Several examples with multiple chemical reactions demonstrate the performance of our approach.}, added-at = {2011-01-19T18:05:34.000+0100}, author = {Bonilla-Petriciolet, Adrián and Iglesias-Silva, Gustavo A. and Hall, Kenneth R.}, biburl = {https://www.bibsonomy.org/bibtex/24430aef574f8f57ef8df9af8b2058d36/thorade}, doi = {10.1016/j.fluid.2008.04.015}, interhash = {6a5db3c26da7ac3a2fc4529791d8d44e}, intrahash = {4430aef574f8f57ef8df9af8b2058d36}, issn = {0378-3812}, journal = {Fluid Phase Equilibria}, keywords = {2008 equilibrium multi-component two-phase}, number = {1-2}, pages = {48 - 55}, timestamp = {2012-11-02T19:18:26.000+0100}, title = {An effective calculation procedure for two-phase equilibria in multireaction systems}, url = {http://dx.doi.org/10.1016/j.fluid.2008.04.015}, volume = 269, year = 2008 }