INSTRUMENTAL CALCULATION SYSTEM THERMODYNAMIC FUNCTIONS OF INDIVIDUAL SUBSTANCES, CHEMICAL REACTIONS AND COMPLEX MULTICOMPONENT HETEROGENEOUS SYSTEM
Abstract
A software implementation of an instrumental system for calculating the thermodynamic functions of individual substances, chemical reactions and the equal state of a complex multicomponent heterogeneous system is presented. An overview of existing databases and software products is provided. An algorithm for calculating the basic thermodynamic functions of a substance (specific heat capacity, enthalpy, entropy and reduced Gibbs energy for both a fixed temperature and a change in the temperature range) is considered. A database has been created for 2500 individual properties. A calculation block has been developed to determine the basic thermodynamic parameters. An algorithm for calculating changes in the thermodynamic functions of chemical reactions based on Hesse's law is implemented programmatically. The method of calculating the equilibrium state of a complex multicomponent heterogeneous system based on the principle of maximum entropy, which is implemented in the third module of the instrumental system, is considered.
About the Authors
Inna A. Rybenko
Siberian State Industrial Universit
Russian Federation
Russian Federation
Dr. Sci., Prof., Head of the Department of Applied Information Technologies and Programming
Pavel A. Sechenov
Siberian State Industrial University
Cand. Sci., Asist. Prof., Head of the Department of Applied Information Technologies and Programming
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Review
For citations:
Rybenko I., Sechenov P. INSTRUMENTAL CALCULATION SYSTEM THERMODYNAMIC FUNCTIONS OF INDIVIDUAL SUBSTANCES, CHEMICAL REACTIONS AND COMPLEX MULTICOMPONENT HETEROGENEOUS SYSTEM. Bulletin of the Siberian State Industrial University. 2022;(3):18-27. (In Russ.)
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