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Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal

[Image: see text] To clarify the thermal safety inherent in a new epoxiconazole crystal, differential scanning calorimetry (DSC) and adiabatic accelerating rate calorimetry (ARC) were used for testing and research. The Friedman method and model method were used to analyze thermal decomposition kinet...

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Autores principales: Wei, Zhen-Yun, Tan, Ji-Shuang, Ma, Xiao-Hua, Kong, Rong, Liu, Xuan, Cheng, Chun-Sheng, Li, San-Xi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7931430/
https://www.ncbi.nlm.nih.gov/pubmed/33681598
http://dx.doi.org/10.1021/acsomega.0c05988
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author Wei, Zhen-Yun
Tan, Ji-Shuang
Ma, Xiao-Hua
Kong, Rong
Liu, Xuan
Cheng, Chun-Sheng
Li, San-Xi
author_facet Wei, Zhen-Yun
Tan, Ji-Shuang
Ma, Xiao-Hua
Kong, Rong
Liu, Xuan
Cheng, Chun-Sheng
Li, San-Xi
author_sort Wei, Zhen-Yun
collection PubMed
description [Image: see text] To clarify the thermal safety inherent in a new epoxiconazole crystal, differential scanning calorimetry (DSC) and adiabatic accelerating rate calorimetry (ARC) were used for testing and research. The Friedman method and model method were used to analyze thermal decomposition kinetics based on the DSC data, and the N-order and autocatalytic decomposition reaction kinetic models were established. The double scan method was utilized to verify the autocatalytic effect during the decomposition process. The Friedman method, N-order, and autocatalytic model methods were used to study the substance’s thermal decomposition characteristics. ARC data are utilized to verify the aforementioned prediction results and the kinetic parameters that were obtained based on ARC data from N-order and autocatalytic model methods that concur with the simulation results. This paper applies the N-order and autocatalytic model to the kinetic model to further predict thermal safety parameter time to maximum rate under adiabatic conditions.
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spelling pubmed-79314302021-03-05 Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal Wei, Zhen-Yun Tan, Ji-Shuang Ma, Xiao-Hua Kong, Rong Liu, Xuan Cheng, Chun-Sheng Li, San-Xi ACS Omega [Image: see text] To clarify the thermal safety inherent in a new epoxiconazole crystal, differential scanning calorimetry (DSC) and adiabatic accelerating rate calorimetry (ARC) were used for testing and research. The Friedman method and model method were used to analyze thermal decomposition kinetics based on the DSC data, and the N-order and autocatalytic decomposition reaction kinetic models were established. The double scan method was utilized to verify the autocatalytic effect during the decomposition process. The Friedman method, N-order, and autocatalytic model methods were used to study the substance’s thermal decomposition characteristics. ARC data are utilized to verify the aforementioned prediction results and the kinetic parameters that were obtained based on ARC data from N-order and autocatalytic model methods that concur with the simulation results. This paper applies the N-order and autocatalytic model to the kinetic model to further predict thermal safety parameter time to maximum rate under adiabatic conditions. American Chemical Society 2021-02-16 /pmc/articles/PMC7931430/ /pubmed/33681598 http://dx.doi.org/10.1021/acsomega.0c05988 Text en © 2021 The Authors. Published by American Chemical Society This is an open access article published under an ACS AuthorChoice License (https://creativecommons.org/licenses/by-nc-nd/4.0/) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Wei, Zhen-Yun
Tan, Ji-Shuang
Ma, Xiao-Hua
Kong, Rong
Liu, Xuan
Cheng, Chun-Sheng
Li, San-Xi
Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title_full Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title_fullStr Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title_full_unstemmed Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title_short Research on Thermal Decomposition Kinetics and Thermal Safety for a New Epoxiconazole Crystal
title_sort research on thermal decomposition kinetics and thermal safety for a new epoxiconazole crystal
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7931430/
https://www.ncbi.nlm.nih.gov/pubmed/33681598
http://dx.doi.org/10.1021/acsomega.0c05988
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