IDEAS home Printed from https://ideas.repec.org/a/spr/joptap/v128y2006i3d10.1007_s10957-006-9030-y.html
   My bibliography  Save this article

Primal-Dual Active-Set Algorithm for Chemical Equilibrium Problems Related to the Modeling of Atmospheric Inorganic Aerosols

Author

Listed:
  • N. R. Amundson

    (University of Houston)

  • A. Caboussat

    (University of Houston)

  • J. W. He

    (University of Houston)

  • J. H. Seinfeld

    (California Institute of Technology)

  • K. Y. Yoo

    (Seoul National University of Technology)

Abstract

A general equilibrium model for multiphase multicomponent inorganic atmospheric aerosols is proposed. The thermodynamic 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 algorithm solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits to compute the minimum of the energy and tracks the presence or not of solid salts at the equilibrium. Numerical results show the efficiency of our algorithm for the prediction of multiphase multireaction chemical equilibria.

Suggested Citation

  • N. R. Amundson & A. Caboussat & J. W. He & J. H. Seinfeld & K. Y. Yoo, 2006. "Primal-Dual Active-Set Algorithm for Chemical Equilibrium Problems Related to the Modeling of Atmospheric Inorganic Aerosols," Journal of Optimization Theory and Applications, Springer, vol. 128(3), pages 469-498, March.
    • Handle: RePEc:spr:joptap:v:128:y:2006:i:3:d:10.1007_s10957-006-9030-y
    DOI: 10.1007/s10957-006-9030-y
    as

    Download full text from publisher

    File URL: http://link.springer.com/10.1007/s10957-006-9030-y
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1007/s10957-006-9030-y?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. A. Caboussat & C. Landry & J. Rappaz, 2010. "Optimization Problem Coupled with Differential Equations: A Numerical Algorithm Mixing an Interior-Point Method and Event Detection," Journal of Optimization Theory and Applications, Springer, vol. 147(1), pages 141-156, October.
    2. N. R. Amundson & A. Caboussat & J. W. He & J. H. Seinfeld, 2006. "Primal-Dual Interior-Point Method for an Optimization Problem Related to the Modeling of Atmospheric Organic Aerosols," Journal of Optimization Theory and Applications, Springer, vol. 130(3), pages 377-409, September.
    3. Alexandre Caboussat, 2011. "Primal-dual interior-point method for thermodynamic gas-particle partitioning," Computational Optimization and Applications, Springer, vol. 48(3), pages 717-745, April.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:joptap:v:128:y:2006:i:3:d:10.1007_s10957-006-9030-y. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.