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Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition

A priori knowledge of the shelf life of energetic materials (EMs) is relevant due to its direct association with safety and functionality. This paper proposes a quick and reliable approach to predicting the shelf life of EMs whose thermal decomposition is an autocatalytic process once their failure...

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Autores principales: Sanchirico, Roberto, Santonocito, Marco Luca, Di Sarli, Valeria, Lisi, Luciana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9785429/
https://www.ncbi.nlm.nih.gov/pubmed/36556705
http://dx.doi.org/10.3390/ma15248899
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author Sanchirico, Roberto
Santonocito, Marco Luca
Di Sarli, Valeria
Lisi, Luciana
author_facet Sanchirico, Roberto
Santonocito, Marco Luca
Di Sarli, Valeria
Lisi, Luciana
author_sort Sanchirico, Roberto
collection PubMed
description A priori knowledge of the shelf life of energetic materials (EMs) is relevant due to its direct association with safety and functionality. This paper proposes a quick and reliable approach to predicting the shelf life of EMs whose thermal decomposition is an autocatalytic process once their failure threshold has been defined as a function of the limiting extent of conversion. This approach is based on the assumption of a kinetic law consistent with the autocatalytic behavior and on the subsequent extraction, via a suitable procedure of parameter identification, of the kinetics of thermal decomposition from differential scanning calorimetry (DSC) data gathered under dynamic conditions at three different heating rates. Its reliability is proven for picric acid (PA) through the comparison of kinetic predictions with evaluations of conversion obtained by using high performance liquid chromatography (HPLC) analysis for samples subjected to isothermal and non-isothermal accelerated aging tests, as well as for a sample of naturally aged material, i.e., PA, stored at room temperature for more than 10 years.
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spelling pubmed-97854292022-12-24 Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition Sanchirico, Roberto Santonocito, Marco Luca Di Sarli, Valeria Lisi, Luciana Materials (Basel) Article A priori knowledge of the shelf life of energetic materials (EMs) is relevant due to its direct association with safety and functionality. This paper proposes a quick and reliable approach to predicting the shelf life of EMs whose thermal decomposition is an autocatalytic process once their failure threshold has been defined as a function of the limiting extent of conversion. This approach is based on the assumption of a kinetic law consistent with the autocatalytic behavior and on the subsequent extraction, via a suitable procedure of parameter identification, of the kinetics of thermal decomposition from differential scanning calorimetry (DSC) data gathered under dynamic conditions at three different heating rates. Its reliability is proven for picric acid (PA) through the comparison of kinetic predictions with evaluations of conversion obtained by using high performance liquid chromatography (HPLC) analysis for samples subjected to isothermal and non-isothermal accelerated aging tests, as well as for a sample of naturally aged material, i.e., PA, stored at room temperature for more than 10 years. MDPI 2022-12-13 /pmc/articles/PMC9785429/ /pubmed/36556705 http://dx.doi.org/10.3390/ma15248899 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sanchirico, Roberto
Santonocito, Marco Luca
Di Sarli, Valeria
Lisi, Luciana
Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title_full Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title_fullStr Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title_full_unstemmed Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title_short Shelf Life Prediction of Picric Acid via Model-Based Kinetic Analysis of Its Thermal Decomposition
title_sort shelf life prediction of picric acid via model-based kinetic analysis of its thermal decomposition
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9785429/
https://www.ncbi.nlm.nih.gov/pubmed/36556705
http://dx.doi.org/10.3390/ma15248899
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