An optimization problem related to the modeling of atmospheric inorganic aerosols

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

doi:10.1016/j.crma.2005.01.025

An optimization problem related to the modeling of atmospheric inorganic aerosols

Neal R. Amundson
, Alexandre Caboussat
, Jiwen He
, John H. Seinfeld
, Kee Youn Yoo

Dept. of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

A mathematical model for the computation of chemical equilibrium of atmospheric inorganic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy for a system involving an aqueous phase, a gas phase and solid salts. A primal-dual method solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits the computation of the minimum and track solid salts at the equilibrium.

Original language	English
Pages (from-to)	683-686
Number of pages	4
Journal	Comptes Rendus Mathematique
Volume	340
Issue number	9
DOIs	https://doi.org/10.1016/j.crma.2005.01.025
State	Published - 1 May 2005

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10.1016/j.crma.2005.01.025

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title = "An optimization problem related to the modeling of atmospheric inorganic aerosols",

abstract = "A mathematical model for the computation of chemical equilibrium of atmospheric inorganic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy for a system involving an aqueous phase, a gas phase and solid salts. A primal-dual method solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits the computation of the minimum and track solid salts at the equilibrium.",

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AU - Amundson, Neal R.

AU - Caboussat, Alexandre

AU - He, Jiwen

AU - Seinfeld, John H.

AU - Yoo, Kee Youn

PY - 2005/5/1

Y1 - 2005/5/1

N2 - A mathematical model for the computation of chemical equilibrium of atmospheric inorganic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy for a system involving an aqueous phase, a gas phase and solid salts. A primal-dual method solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits the computation of the minimum and track solid salts at the equilibrium.

AB - A mathematical model for the computation of chemical equilibrium of atmospheric inorganic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy for a system involving an aqueous phase, a gas phase and solid salts. A primal-dual method solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits the computation of the minimum and track solid salts at the equilibrium.

UR - https://www.scopus.com/pages/publications/18444371754

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DO - 10.1016/j.crma.2005.01.025

M3 - Article

AN - SCOPUS:18444371754

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SP - 683

EP - 686

JO - Comptes Rendus Mathematique

JF - Comptes Rendus Mathematique

IS - 9

ER -

An optimization problem related to the modeling of atmospheric inorganic aerosols

Abstract

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