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JOURNALS // Sibirskii Zhurnal Industrial'noi Matematiki // Archive

Sib. Zh. Ind. Mat., 2011 Volume 14, Number 2, Pages 69–77 (Mi sjim668)

On the interior point method for solving thermodynamic equilibrium problems

V. P. Il'ina, K. G. Morgunovb, A. N. Chaikoa

a Institute of Computational Mathematics and Mathematical Geophysics SB RAS, Novosibirsk, RUSSIA
b Institute of Geology and Mineralogy SB RAS, Novosibirsk, RUSSIA

Abstract: We consider the problem of thermodynamic equilibrium in multicomponent systems with a given total composition as a traditional inverse problem. We propose a modification of the corresponding optimization problem for which, considering the specifics of the target functional, and basing on the interior point method we develop a two-level iterative process and sos find a solution satisfying the Karush–Kuhn–Tucker conditions. The results of simulations confirm the convergence of the method and demonstrate its wider applicability in comparison with analogous methods.

UDC: 519.853.62+544.341

Received: 18.03.2009
Revised: 25.03.2011



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