Calculation of Complex Chemical Equilibrium Using Optimization Package Ipopt

Authors : Gleb Belov, N M Aristova

Pages : 77-83

Doi:10.5541/ijot.1317496

View : 85 | Download : 149

Publication Date : 2023-12-01

Article Type : Research Paper

Abstract :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.
Keywords : chemical equilibrium, thermodynamics, Julia, JuMP