MATHEMATICAL MODELING AND EVALUATION OF THERMODYNAMIC PERFECTION OF A CHEMICAL REACTOR

Abstract

The development of a formalized mathematical model for quantitative and qualitative assessment of the thermodynamic perfection of a gas chemical reactor is described in the article. The reactor was considered as an energy technology system, that is, in the unity of the transformation of matter and energy. Mathematical modeling and evaluation of the thermodynamic perfection of a chemical reactor is generalized to a class of known chemically active gas systems characteristic of ammonia synthesis, sulfur dioxide oxidation, methanol synthesis, nitric oxide oxidation, etc. The equilibrium degree of transformation of a substance and exergy are taken as the determining parameters for modeling and evaluating the thermodynamic perfection of a chemical reactor. These parameters are functions of temperature and reflect the opposing tendencies of the process when it changes, the evaluation of which allows us to quantify the finding of the maximum exergy in the coordinates (E-T) when justifying the optimal temperatures of the process. The model was tested on a specific example of a sulfur dioxide oxidation reactor in the production of sulfuric acid. The public Octave programming environment was used for computer modeling. The developed mathematical model is recommended to be used in the operational preparation and optimization of the initial data for the design of gas reactors. The mathematical model can be supplemented with a mathematical model developed by the authors earlier for quantifying the current profile of the degrees of transformation of the target component of a chemically active reactive gas mixture in the course of its movement in a polytropic tubular reactor of the "pipe in a pipe" type. After testing and setting up the model in practice, it can be used in an automated control system for chemical reactors, including when creating adaptive control systems. For citation: Andreev A.S., Aksenchik K.V. Mathematical modeling and evaluation of thermodynamic perfection of a chemical reactor. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2024. V. 67. N 5. P. 114-120. DOI: 10.6060/ivkkt.20246705.6964.