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Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve

BACKGROUND: This paper provides some clarifications regarding the use of model-fitting methods of kinetic analysis for estimating the activation energy of a process, in response to some results recently published in Chemistry Central journal. FINDINGS: The model fitting methods of Arrhenius and Sava...

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Autores principales: Sánchez-Jiménez, Pedro E, Pérez-Maqueda, Luis A, Perejón, Antonio, Criado, José M
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3598870/
https://www.ncbi.nlm.nih.gov/pubmed/23383684
http://dx.doi.org/10.1186/1752-153X-7-25
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author Sánchez-Jiménez, Pedro E
Pérez-Maqueda, Luis A
Perejón, Antonio
Criado, José M
author_facet Sánchez-Jiménez, Pedro E
Pérez-Maqueda, Luis A
Perejón, Antonio
Criado, José M
author_sort Sánchez-Jiménez, Pedro E
collection PubMed
description BACKGROUND: This paper provides some clarifications regarding the use of model-fitting methods of kinetic analysis for estimating the activation energy of a process, in response to some results recently published in Chemistry Central journal. FINDINGS: The model fitting methods of Arrhenius and Savata are used to determine the activation energy of a single simulated curve. It is shown that most kinetic models correctly fit the data, each providing a different value for the activation energy. Therefore it is not really possible to determine the correct activation energy from a single non-isothermal curve. On the other hand, when a set of curves are recorded under different heating schedules are used, the correct kinetic parameters can be clearly discerned. CONCLUSIONS: Here, it is shown that the activation energy and the kinetic model cannot be unambiguously determined from a single experimental curve recorded under non isothermal conditions. Thus, the use of a set of curves recorded under different heating schedules is mandatory if model-fitting methods are employed.
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spelling pubmed-35988702013-03-27 Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve Sánchez-Jiménez, Pedro E Pérez-Maqueda, Luis A Perejón, Antonio Criado, José M Chem Cent J Short Report BACKGROUND: This paper provides some clarifications regarding the use of model-fitting methods of kinetic analysis for estimating the activation energy of a process, in response to some results recently published in Chemistry Central journal. FINDINGS: The model fitting methods of Arrhenius and Savata are used to determine the activation energy of a single simulated curve. It is shown that most kinetic models correctly fit the data, each providing a different value for the activation energy. Therefore it is not really possible to determine the correct activation energy from a single non-isothermal curve. On the other hand, when a set of curves are recorded under different heating schedules are used, the correct kinetic parameters can be clearly discerned. CONCLUSIONS: Here, it is shown that the activation energy and the kinetic model cannot be unambiguously determined from a single experimental curve recorded under non isothermal conditions. Thus, the use of a set of curves recorded under different heating schedules is mandatory if model-fitting methods are employed. BioMed Central 2013-02-05 /pmc/articles/PMC3598870/ /pubmed/23383684 http://dx.doi.org/10.1186/1752-153X-7-25 Text en Copyright ©2013 Sánchez-Jiménez et al; licensee Chemistry Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Short Report
Sánchez-Jiménez, Pedro E
Pérez-Maqueda, Luis A
Perejón, Antonio
Criado, José M
Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title_full Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title_fullStr Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title_full_unstemmed Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title_short Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
title_sort clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve
topic Short Report
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3598870/
https://www.ncbi.nlm.nih.gov/pubmed/23383684
http://dx.doi.org/10.1186/1752-153X-7-25
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