Determination of the Process Kinetic Constants in Obtaining Synthesis Gas using the NdCaCoO₄ Catalyst

Abstract

The paper establishes a chemical flow chart for the methane oxidative conversion process and the rate equation types for the separate chemical reaction stages. A mathematical model for the methane oxygen conversion process in a synthesis gas under the isothermal conditions is developed and implemented. The paper uses a highly selective perovskite-like catalyst of the NdCaCoO₄ composition weighing 0.1 g. Determination of the mathematical model parameters, i.e., kinetic constants of obtaining the synthesis gas using this catalyst, necessitated selecting various target function options and developing computational algorithms to minimize the identification criteria for the experimental and computation data. Based on the obtained results, the paper solves the stated direct problem of computer simulation of the methane oxygen conversion, and presents an agreement between the experimental and computed data. Several sets of the kinetic constants are making it possible to select one with the constant values. Its substitution into the system of equations for mathematical description of the synthesis gas production process demonstrates similar trends in the variables of both the object and the model, while discrepancies between the experimental and computed concentrations are minimal. The obtained results are of great practical significance. In technology, they enable optimization of the chemical processes and improvement of the equipment used including reactors, controllers, etc.

Please cite this article in English as:

Sovetin F.S., Shatalov K.I., Gurov A.A., et al. Determination of the process kinetic constants in obtaining synthesis gas using the NdCaCoO₄ catalyst. Herald of the Bauman Moscow State Technical University, Series Natural Sciences, 2025, no. 5 (122), pp. 100--116 (in Russ.). EDN: VKZITS

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