International Journal of Thermodynamics 1301-9724 2146-1511 Uluslararası Uygulamalı Termodinamik Derneği İktisadi İşletmesi 10.5541/ijot.1317496 Thermodynamics and Statistical Physics Termodinamik ve İstatistiksel Fizik Calculation of Complex Chemical Equilibrium Using Optimization Package Ipopt https://orcid.org/0000-0001-7949-9403 Belov Gleb Joint Institute for High Temperatures of Russian Academy of Science https://orcid.org/0000-0001-8588-9280 Aristova N. M. 12 01 2023 26 4 77 83 06 20 2023 10 08 2023 Copyright © 1998, International Journal of Thermodynamics 1998 International Journal of Thermodynamics

An approach to the calculation of complex chemical equilibrium using the open-source optimization package Ipopt and the open-source package JuMP is proposed. The code of two procedures written in the open-source Julia programming language for calculating the equilibrium composition and properties of multicomponent heterogeneous thermodynamic systems is presented. The results of the test calculations showed a good performance of the code and a relatively high speed of calculations. Due to the compactness and simplicity of the code, it can be easily integrated into other applications, or used in combination with more complex models.

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