Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions
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 rang...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-02-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/16/5/1851 |
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| author | Juan Arcenegui-Troya Antonio Perejón Pedro E. Sánchez-Jiménez Luis A. Pérez-Maqueda |
| author_facet | Juan Arcenegui-Troya Antonio Perejón Pedro E. Sánchez-Jiménez Luis A. Pérez-Maqueda |
| author_sort | Juan Arcenegui-Troya |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T07:19:32Z |
| format | Article |
| id | doaj.art-57520946f3744d55bab695303120b03e |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-11T07:19:32Z |
| publishDate | 2023-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-57520946f3744d55bab695303120b03e2023-11-17T08:03:47ZengMDPI AGMaterials1996-19442023-02-01165185110.3390/ma16051851Flexible Kinetic Model Determination of Reactions in Materials under Isothermal ConditionsJuan Arcenegui-Troya0Antonio Perejón1Pedro E. Sánchez-Jiménez2Luis A. Pérez-Maqueda3Instituto de Ciencia de Materiales de Sevilla, Consejo Superior de Investigaciones Científicas-Universidad de Sevilla, C. Américo Vespucio no 49, 41092 Sevilla, SpainInstituto de Ciencia de Materiales de Sevilla, Consejo Superior de Investigaciones Científicas-Universidad de Sevilla, C. Américo Vespucio no 49, 41092 Sevilla, SpainInstituto de Ciencia de Materiales de Sevilla, Consejo Superior de Investigaciones Científicas-Universidad de Sevilla, C. Américo Vespucio no 49, 41092 Sevilla, SpainInstituto de Ciencia de Materiales de Sevilla, Consejo Superior de Investigaciones Científicas-Universidad de Sevilla, C. Américo Vespucio no 49, 41092 Sevilla, SpainKinetic 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.https://www.mdpi.com/1996-1944/16/5/1851kinetic analysiskinetic modellingmodel freepolymer degradationisothermal |
| spellingShingle | Juan Arcenegui-Troya Antonio Perejón Pedro E. Sánchez-Jiménez Luis A. Pérez-Maqueda Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions Materials kinetic analysis kinetic modelling model free polymer degradation isothermal |
| title | Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions |
| title_full | Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions |
| title_fullStr | Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions |
| title_full_unstemmed | Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions |
| title_short | Flexible Kinetic Model Determination of Reactions in Materials under Isothermal Conditions |
| title_sort | flexible kinetic model determination of reactions in materials under isothermal conditions |
| topic | kinetic analysis kinetic modelling model free polymer degradation isothermal |
| url | https://www.mdpi.com/1996-1944/16/5/1851 |
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