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A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem

Here, we introduce an advanced mathematical model for the sublimation of thin films of explosives. The model relies on the Hertz–Knudsen–Langmuir (HKL) equation that describes the vaporization rate of an explosive and controls the mass exchange between the surface and the ambient air. The latest exp...

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Autores principales: Kudryashova, Olga B., Titov, Sergey S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9699605/
https://www.ncbi.nlm.nih.gov/pubmed/36432038
http://dx.doi.org/10.3390/molecules27227939
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author Kudryashova, Olga B.
Titov, Sergey S.
author_facet Kudryashova, Olga B.
Titov, Sergey S.
author_sort Kudryashova, Olga B.
collection PubMed
description Here, we introduce an advanced mathematical model for the sublimation of thin films of explosives. The model relies on the Hertz–Knudsen–Langmuir (HKL) equation that describes the vaporization rate of an explosive and controls the mass exchange between the surface and the ambient air. The latest experimental data on sublimation and diffusion of 2,4,6-trinitrotoluene (TNT) monocrystals were factored in, as well as the data on the sublimation rate of hexogen (RDX), octogen (HMX), and picramide (TNA) traces. To advance the mathematical model we suggested previously, we took into account the structure of a substrate on which a thin explosive layer was deposited. The measurement problem of the sublimation rate and limits of an explosive arises from developing and advancing remote detection methods for explosives traces. Using mathematical modelling, we can identify a detectable quantity of a specific explosive under given conditions. We calculated the mass of the explosive in the air upon sublimation of thin explosive films from the surfaces over a wide range of the parameters in question and made conclusions regarding the application limits of the devised standoff trace explosive detection techniques.
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spelling pubmed-96996052022-11-26 A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem Kudryashova, Olga B. Titov, Sergey S. Molecules Article Here, we introduce an advanced mathematical model for the sublimation of thin films of explosives. The model relies on the Hertz–Knudsen–Langmuir (HKL) equation that describes the vaporization rate of an explosive and controls the mass exchange between the surface and the ambient air. The latest experimental data on sublimation and diffusion of 2,4,6-trinitrotoluene (TNT) monocrystals were factored in, as well as the data on the sublimation rate of hexogen (RDX), octogen (HMX), and picramide (TNA) traces. To advance the mathematical model we suggested previously, we took into account the structure of a substrate on which a thin explosive layer was deposited. The measurement problem of the sublimation rate and limits of an explosive arises from developing and advancing remote detection methods for explosives traces. Using mathematical modelling, we can identify a detectable quantity of a specific explosive under given conditions. We calculated the mass of the explosive in the air upon sublimation of thin explosive films from the surfaces over a wide range of the parameters in question and made conclusions regarding the application limits of the devised standoff trace explosive detection techniques. MDPI 2022-11-16 /pmc/articles/PMC9699605/ /pubmed/36432038 http://dx.doi.org/10.3390/molecules27227939 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
Kudryashova, Olga B.
Titov, Sergey S.
A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title_full A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title_fullStr A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title_full_unstemmed A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title_short A Mathematical Model for Sublimation of a Thin Film in Trace Explosive Detection Problem
title_sort mathematical model for sublimation of a thin film in trace explosive detection problem
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9699605/
https://www.ncbi.nlm.nih.gov/pubmed/36432038
http://dx.doi.org/10.3390/molecules27227939
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