Literature DB >> 21861469

On the shock sensitivity of explosive compounds with small-scale gap test.

Bisheng Tan1, Xinping Long, Rufang Peng, Hongbo Li, Bo Jin, Shijin Chu.   

Abstract

In this work an improved set of small-scale gap tests was applied to measure the shock sensitivity of 13 explosive compounds, and a Mn-Cu manometer was also employed to measure the output pressures of shock waves passed through aluminum gaps with different thicknesses to draw a standard curve. The critical initiation thicknesses of aluminum gaps of different explosive compounds (244 shots in total) were treated according to statistical method, and the Mulliken charges of nitro groups, bond dissociation energies of X-NO(2) (X = C, N), resonance energies, and ring strain energies of these explosive compounds were calculated with the means of DFT/BLYP/DNP calculations and homodesmotic reactions designs. Genetic function approximation was used to construct a relationship between the critical initiation thicknesses of aluminum gaps of different explosive compounds and their forementioned molecule structural parameters.

Entities:  

Year:  2011        PMID: 21861469     DOI: 10.1021/jp204814f

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  5 in total

1.  Theoretical studies on a new high energy density compound 6-amino-7-nitropyrazino[2,3-e][1,2,3,4]tetrazine 1,3,5-trioxide (ANPTTO).

Authors:  Tianyi Wang; Chunmei Zheng; Junqing Yang; Xueli Zhang; Xuedong Gong; Mingzhu Xia
Journal:  J Mol Model       Date:  2014-05-24       Impact factor: 1.810

2.  Theoretical studies on vicinal-tetrazine compounds: furoxano-1,2,3,4-tetrazine-1,3,5-trioxide (FTTO-α) and furoxano-1,2,3,4-tetrazine-1,3,7-trioxide (FTTO-β).

Authors:  Tianyi Wang; Tao Zhang; Liwen Xu; Xionghui Wu; Xuedong Gong; Mingzhu Xia
Journal:  J Mol Model       Date:  2014-11-21       Impact factor: 1.810

3.  Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 1. Annulation with a triazole ring.

Authors:  Tianyi Wang; Chunmei Zheng; Yan Liu; Xuedong Gong; Mingzhu Xia
Journal:  J Mol Model       Date:  2015-07-21       Impact factor: 1.810

4.  Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 2. Annulation with a pyrazole ring.

Authors:  Tianyi Wang; Chunmei Zheng; Xuedong Gong; Mingzhu Xia
Journal:  J Mol Model       Date:  2015-09-24       Impact factor: 1.810

5.  Computational analysis of mesoscale thermomechanical ignition behavior of impacted LLM-105 based explosives.

Authors:  XinJie Wang; WeiJia Hu; YanQing Wu; FengLei Huang
Journal:  RSC Adv       Date:  2019-05-22       Impact factor: 3.361

  5 in total

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