Chemical Engineering Journal, volume 421, pages 129804

Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds

Muravyev Nikita ¹

Meerov Dmitry ¹

Monogarov Konstantin ¹

Melnikov Igor ¹

Kosareva Ekaterina K ¹

Fershtat Leonid L. ²

Sheremetev Aleksei B. ²

Dalinger Igor L ²

Fomenkov Igor V. ²

Pivkina Alla ¹

Hide authors affiliations Show authors affiliations: 2 affiliations

N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 4 Kosygina Str., 119991, Moscow, Russia |

N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 119991 Moscow, Russia |

Publication type: Journal Article

Publication date: 2021-10-01

Elsevier

Journal: Chemical Engineering Journal

Quartile SCImago

Quartile WOS

Impact factor: 15.1

ISSN: 13858947

DOI: 10.1016/j.cej.2021.129804

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General Chemistry

General Chemical Engineering

Industrial and Manufacturing Engineering

Environmental Chemistry

Abstract

• Impact, friction, and thermal sensitivity data for 150 CHNOFCl species is reported. • Impact testing of high-melting and low-sensitive compounds is most challenging. • Mechanical sensitivity generally increases with the energy content of compound. • Increasing of detonation performance without compromising sensitivity is possible. Mechanical and thermal hazards are critical for chemical compounds. Foremost, the design of novel energetic materials that are stable, insensitive, but have a detonation performance superior to in-service materials is of great interest. However, a single source of safety data for hazardous materials with explosophoric functionalities is still missing. Herein, an experimental database on thermal stability, impact, and friction sensitivity for 150 CHNOFCl compounds is presented. Mechanical sensitivity is discussed in detail: particle size and shape effects, instrument design, and experimental protocol are considered. The entire dataset was analyzed using the simple descriptors of molecular structure. Mechanical sensitivity was found to be linearly correlated with the maximal heat of explosion for certain classes of compounds (nitrobenzenes, furazans, pyrazoles, etc.). Consideration of all species shows that previously proposed sensitivity increase with an energy content rise is relevant, although it is not strict line, as was assumed, but rather a widened “strip”. A new parameter, safety factor, is proposed to combine two types of sensitivity data. With this factor, the limiting values of mechanical sensitivity at a given energy content are provided that represent the state-of-art development of energetic materials and may be used for screening and design of novel compounds.

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Citations by journals

	1 2 3 4 5 6
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 6, 8.7% Physical Chemistry Chemical Physics 6 publications, 8.7%
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Dalton Transactions	Dalton Transactions, 3, 4.35% Dalton Transactions 3 publications, 4.35%
Mendeleev Communications	Mendeleev Communications, 3, 4.35% Mendeleev Communications 3 publications, 4.35%
Thermochimica Acta	Thermochimica Acta, 3, 4.35% Thermochimica Acta 3 publications, 4.35%
Frontiers in Chemistry	Frontiers in Chemistry, 2, 2.9% Frontiers in Chemistry 2 publications, 2.9%
Defence Technology	Defence Technology, 2, 2.9% Defence Technology 2 publications, 2.9%
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FirePhysChem	FirePhysChem, 2, 2.9% FirePhysChem 2 publications, 2.9%
Crystal Growth and Design	Crystal Growth and Design, 2, 2.9% Crystal Growth and Design 2 publications, 2.9%
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Russian Chemical Reviews	Russian Chemical Reviews, 2, 2.9% Russian Chemical Reviews 2 publications, 2.9%
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Chemistry of Heterocyclic Compounds	Chemistry of Heterocyclic Compounds, 1, 1.45% Chemistry of Heterocyclic Compounds 1 publication, 1.45%
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Crystals	Crystals, 1, 1.45% Crystals 1 publication, 1.45%
Journal of Thermal Analysis and Calorimetry	Journal of Thermal Analysis and Calorimetry, 1, 1.45% Journal of Thermal Analysis and Calorimetry 1 publication, 1.45%
Fuel	Fuel, 1, 1.45% Fuel 1 publication, 1.45%
Chemical Physics Letters	Chemical Physics Letters, 1, 1.45% Chemical Physics Letters 1 publication, 1.45%
Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling, 1, 1.45% Journal of Chemical Information and Modeling 1 publication, 1.45%
ACS applied materials & interfaces	ACS applied materials & interfaces, 1, 1.45% ACS applied materials & interfaces 1 publication, 1.45%
RSC Advances	RSC Advances, 1, 1.45% RSC Advances 1 publication, 1.45%
Journal of Materials Chemistry A	Journal of Materials Chemistry A, 1, 1.45% Journal of Materials Chemistry A 1 publication, 1.45%
Organic Chemistry Frontiers	Organic Chemistry Frontiers, 1, 1.45% Organic Chemistry Frontiers 1 publication, 1.45%
Nanomaterials: Design and Simulation	Nanomaterials: Design and Simulation, 1, 1.45% Nanomaterials: Design and Simulation 1 publication, 1.45%
Chemical Record	Chemical Record, 1, 1.45% Chemical Record 1 publication, 1.45%
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Citations by publishers

	2 4 6 8 10 12 14 16 18 20
Elsevier	Elsevier, 19, 27.54% Elsevier 19 publications, 27.54%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 14, 20.29% Royal Society of Chemistry (RSC) 14 publications, 20.29%
Springer Nature	Springer Nature, 8, 11.59% Springer Nature 8 publications, 11.59%
American Chemical Society (ACS)	American Chemical Society (ACS), 8, 11.59% American Chemical Society (ACS) 8 publications, 11.59%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 7, 10.14% Multidisciplinary Digital Publishing Institute (MDPI) 7 publications, 10.14%
Wiley	Wiley, 4, 5.8% Wiley 4 publications, 5.8%
Frontiers Media S.A.	Frontiers Media S.A., 2, 2.9% Frontiers Media S.A. 2 publications, 2.9%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 2, 2.9% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 2 publications, 2.9%
IOP Publishing	IOP Publishing, 1, 1.45% IOP Publishing 1 publication, 1.45%
Pleiades Publishing	Pleiades Publishing, 1, 1.45% Pleiades Publishing 1 publication, 1.45%
	2 4 6 8 10 12 14 16 18 20

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Muravyev N. et al. Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds // Chemical Engineering Journal. 2021. Vol. 421. p. 129804.

GOST all authors (up to 50) Copy

Muravyev N., Meerov D., Monogarov K., Melnikov I., Kosareva E. K., Fershtat L. L., Sheremetev A. B., Dalinger I. L., Fomenkov I. V., Pivkina A. Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds // Chemical Engineering Journal. 2021. Vol. 421. p. 129804.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1016/j.cej.2021.129804

UR - https://doi.org/10.1016%2Fj.cej.2021.129804

TI - Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds

T2 - Chemical Engineering Journal

AU - Muravyev, Nikita

AU - Meerov, Dmitry

AU - Monogarov, Konstantin

AU - Melnikov, Igor

AU - Kosareva, Ekaterina K

AU - Fershtat, Leonid L.

AU - Sheremetev, Aleksei B.

AU - Dalinger, Igor L

AU - Fomenkov, Igor V.

AU - Pivkina, Alla

PY - 2021

DA - 2021/10/01 00:00:00

PB - Elsevier

SP - 129804

VL - 421

SN - 1385-8947

ER -

BibTex

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BibTex Copy

@article{2021_Muravyev,

author = {Nikita Muravyev and Dmitry Meerov and Konstantin Monogarov and Igor Melnikov and Ekaterina K Kosareva and Leonid L. Fershtat and Aleksei B. Sheremetev and Igor L Dalinger and Igor V. Fomenkov and Alla Pivkina},

title = {Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds},

journal = {Chemical Engineering Journal},

year = {2021},

volume = {421},

publisher = {Elsevier},

month = {oct},

url = {https://doi.org/10.1016%2Fj.cej.2021.129804},

pages = {129804},

doi = {10.1016/j.cej.2021.129804}

}

Found error?

Publisher

Elsevier

Journal

Chemical Engineering Journal

Quartile SCImago

Quartile WOS

Impact factor

15.1

ISSN

13858947 (Print)

Labs

Laboratory of Nitrogen-Containing Compounds

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