An optimization problem related to the modeling of atmospheric organic aerosols

Neal R. Amundson; Alexandre Caboussat; Jiwen He; John H. Seinfeld

doi:10.1016/j.crma.2005.04.018

Numerical Analysis

An optimization problem related to the modeling of atmospheric organic aerosols

Presented by: Roland Glowinski

Neal R. Amundson ¹; Alexandre Caboussat ¹; Jiwen He ¹; John H. Seinfeld ²

¹ Department of Mathematics, University of Houston, Houston, TX 77204, USA
² Department of Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA

Comptes Rendus. Mathématique, Volume 340 (2005) no. 10, pp. 765-768.

Abstract
Résumé

A mathematical model for the computation of the phase equilibrium related to atmospheric organic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy and is characterized using the notion of phase simplex of its convex hull. A primal-dual interior-point method solving the Karush–Kuhn–Tucker conditions is detailed. Numerical results show the efficiency of our algorithm.

Nous proposons un modèle pour l'étude de l'équilibre chimique lié à la modélisation d'aérosols organiques. L'état d'équilibre est caractérisé par le minimum global d'énergie de Gibbs et décrit par le « simplexe de phases » de son enveloppe convexe. Nous présentons une méthode de point intérieur pour la résolution du système formé par les conditions de Karush–Kuhn–Tucker. Des résultats numériques montrent l'efficacité de notre algorithme.

Received: 2005-01-02
Accepted: 2005-01-25
Published online: 2005-05-04

DOI: 10.1016/j.crma.2005.04.018

Author's affiliations:

Neal R. Amundson ¹; Alexandre Caboussat ¹; Jiwen He ¹; John H. Seinfeld ²

¹ Department of Mathematics, University of Houston, Houston, TX 77204, USA
² Department of Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA

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     author = {Neal R. Amundson and Alexandre Caboussat and Jiwen He and John H. Seinfeld},
     title = {An optimization problem related to the modeling of atmospheric organic aerosols},
     journal = {Comptes Rendus. Math\'ematique},
     pages = {765--768},
     publisher = {Elsevier},
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     number = {10},
     year = {2005},
     doi = {10.1016/j.crma.2005.04.018},
     language = {en},
}

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Neal R. Amundson; Alexandre Caboussat; Jiwen He; John H. Seinfeld. An optimization problem related to the modeling of atmospheric organic aerosols. Comptes Rendus. Mathématique, Volume 340 (2005) no. 10, pp. 765-768. doi : 10.1016/j.crma.2005.04.018. https://comptes-rendus.academie-sciences.fr/mathematique/articles/10.1016/j.crma.2005.04.018/

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