Literature DB >> 27987108

Insight into electrostatic initiation of nitramine explosives.

Bisheng Tan1, Zhipeng Li2, Xudong Guo2, Jingming Li2, Yong Han2, Xinping Long3.   

Abstract

The electrostatic safety of explosives is of great importance. However, the mechanism for the transfer of energy from an electrostatic spark to the reactive center of an explosive material is not well understood. Thus, in this work, we attempted to clarify the mechanism associated with the static-electricity-initiated detonation of explosives using a model of the interaction that incorporated relevant parameters. Nitramine explosives were considered as examples to study the relationship between electrostatic spark energy and 32 relevant parameters. The four parameters that were most closely correlated with the electrostatic spark energy were the standard deviation of the negative electrostatic potential, the minimum surface electrostatic potential, the minimum ionization energy, and the detonation pressure. A model for the dependence of the electrostatic spark energy on these four parameters was derived using the theoretical method known as genetic function approximation. The electrostatic spark energy values predicted using this model were in good agreement with the corresponding experimental values. The results of this work should lead to a deeper understanding of the electrostatic initiation mechanism of nitramines, and help to inspire the design of new explosives.

Entities:  

Keywords:  Electric breakdown; Electrostatic sensitivity; Ionization energy; Molecular electrostatic potential

Year:  2016        PMID: 27987108     DOI: 10.1007/s00894-016-3163-1

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  8 in total

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Review 2.  Average local ionization energy: A review.

Authors:  Peter Politzer; Jane S Murray; Felipe A Bulat
Journal:  J Mol Model       Date:  2010-04-22       Impact factor: 1.810

3.  Theoretical prediction of electric spark sensitivity of nitroaromatic energetic compounds based on molecular structure.

Authors:  Mohammad Hossein Keshavarz
Journal:  J Hazard Mater       Date:  2007-08-19       Impact factor: 10.588

4.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1988-01-15

5.  A hierarchy of homodesmotic reactions for thermochemistry.

Authors:  Steven E Wheeler; Kendall N Houk; Paul v R Schleyer; Wesley D Allen
Journal:  J Am Chem Soc       Date:  2009-02-25       Impact factor: 15.419

6.  Reliable prediction of electric spark sensitivity of nitramines: a general correlation with detonation pressure.

Authors:  Mohammad Hossein Keshavarz; Hamid Reza Pouretedal; Abolfazl Semnani
Journal:  J Hazard Mater       Date:  2009-01-15       Impact factor: 10.588

7.  Stability of polynitrogen compounds: the importance of separating the sigma and pi electron systems.

Authors:  Moran Noyman; Shmuel Zilberg; Yehuda Haas
Journal:  J Phys Chem A       Date:  2009-07-02       Impact factor: 2.781

8.  Improved prediction of heats of formation of energetic materials using quantum mechanical calculations.

Authors:  Edward F C Byrd; Betsy M Rice
Journal:  J Phys Chem A       Date:  2006-01-26       Impact factor: 2.781

  8 in total

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