Physicochemical and thermal modelling of the reaction between a porous pellet and a gas

TL;DR

This paper presents a comprehensive mathematical model that simulates the chemical, thermal, and structural behavior of porous pellets reacting with gases, validated against experimental data for specific reactions.

Contribution

The study introduces a detailed, validated model capturing chemical kinetics, heat transfer, and structural changes in porous pellets during gas reactions, advancing predictive capabilities.

Findings

Model accurately predicts temperature and concentration profiles.

Simulation results match experimental data for zinc sulphide oxidation.

The model provides insights into reaction mechanisms and heat transfer processes.

Abstract

A mathematical model has been developed to simulate the kinetic and thermal behaviour of a porous solid pellet undergoing chemical reaction with a gas. The model describes the chemical reaction itself, the transfer of the gaseous species between the external gas and the pellet surface, the transport of these species to the inside of the pellet through the pores and through the layer of solid reaction products, the generation (or consumption) of heat due to the reaction and the associated heat transfer processes, together with the structural changes produced in the solid by the reaction. The model has been validated by comparison with experimental results and data from the literature. Simulation results are presented for two reactions: the exothermal oxidation of zinc sulphide and the hydrofluorination of uranium dioxide.