Artículo
Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions
Autor/es | Arcenegui Troya, Juan Jesús
Perejón Pazo, Antonio Sánchez Jiménez, Pedro Enrique Pérez Maqueda, Luis A. |
Departamento | Universidad de Sevilla. Departamento de Química Inorgánica |
Fecha de publicación | 2023 |
Fecha de depósito | 2024-04-30 |
Publicado en |
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Resumen | Kinetic analysis remains a powerful tool for studying a large variety of reactions, which lies at the core of material science and industry. It aims at obtaining the kinetic parameters and model that best describe a given ... Kinetic analysis remains a powerful tool for studying a large variety of reactions, which lies at the core of material science and industry. It aims at obtaining the kinetic parameters and model that best describe a given process and using that information to make reliable predictions in a wide range of conditions. Nonetheless, kinetic analysis often relies on mathematical models derived assuming ideal conditions that are not necessarily met in real processes. The existence of nonideal conditions causes large modifications to the functional form of kinetic models. Therefore, in many cases, experimental data hardly obey any of these ideal models. In this work, we present a novel method for the analysis of integral data obtained under isothermal conditions without any type of assumption about the kinetic model. The method is valid both for processes that follow and for those that do not follow ideal kinetic models. It consists of using a general kinetic equation to find the functional form of the kinetic model via numerical integration and optimization. The procedure has been tested both with simulated data affected by nonuniform particle size and experimental data corresponding to the pyrolysis of ethylene-propylene-diene. |
Agencias financiadoras | Ministerio de Ciencia e Innovación (MICIN). España Junta de Andalucía |
Identificador del proyecto | TED2021-131839B-C22
PDC2021-121552-C2 DOC_00044 |
Cita | Arcenegui Troya, J.J., Perejón Pazo, A., Sánchez Jiménez, P.E. y Pérez Maqueda, L.A. (2023). Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions. Materials, 16 (5), 1851. https://doi.org/10.3390/ma16051851. |
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