Computing complex chemical equilibria by generalized linear programming

  • Authors:
  • H. Greiner

  • Affiliations:
  • Philips GmbH Forschungslaboratorium Aachen, 5100 Aachen, Federal Republic of GermanyF.R.G.

  • Venue:
  • Mathematical and Computer Modelling: An International Journal
  • Year:
  • 1988

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Abstract

We show that the heterogeneous chemical equilibrium problem can be considered as a generalized linear program. An improved version of this minimization method and its application to the calculation of complex multiphase chemical equilibria are presented. An efficient numerical implementation is introduced and computational experience is reported. It is demonstrated that, compared with other methods, the scheme offers a number of distinct computational advantages. Finally, further possible improvements and extensions are discussed.