Literature DB >> 26381911

Impact sensitivity and the maximum heat of detonation.

Peter Politzer1,2, Jane S Murray3,4.   

Abstract

We demonstrate that a large heat of detonation is undesirable from the standpoint of the impact sensitivity of an explosive and also unnecessary from the standpoints of its detonation velocity and detonation pressure. High values of the latter properties can be achieved even with a moderate heat of detonation, and this in turn enhances the likelihood of relatively low sensitivity.

Keywords:  Detonation velocity and pressure; Explosives; Heat of detonation; Impact sensitivity

Year:  2015        PMID： 26381911     DOI： 10.1007/s00894-015-2793-z

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


  7 in total

1.  3,3'-Azobis(6-amino-1,2,4,5-tetrazine): A Novel High-Nitrogen Energetic Material This work was supported at Los Alamos by the joint program of the Department of Defense and the Department of Energy for the preparation and characterization of new energetic materials, and at the Naval Research Laboratory by the Office of Naval Research, Mechanics Division.

Authors: 
Journal:  Angew Chem Int Ed Engl       Date:  2000-05-15       Impact factor: 15.336

2.  Evaluation of electrostatic descriptors for predicting crystalline density.

Authors:  Betsy M Rice; Edward F C Byrd
Journal:  J Comput Chem       Date:  2013-06-29       Impact factor: 3.376

3.  Impact sensitivity and crystal lattice compressibility/free space.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2014-04-23       Impact factor: 1.810

4.  Theoretical study on the structure and stability of [1,2,5] oxadiazolo [3,4-e] [1,2,3,4]-tetrazine-4,6-Di-N-dioxide (FTDO).

Authors:  Wei-Peng Lai; Peng Lian; Tao Yu; Jian-Hua Bu; Ying-Zhe Liu; Wei-Liang Zhu; Jian Lv; Zhong-Xue GE
Journal:  J Mol Model       Date:  2014-07-01       Impact factor: 1.810

5.  Polyazido high-nitrogen compounds: hydrazo- and azo-1,3,5-triazine.

Authors:  My-Hang V Huynh; Michael A Hiskey; Ernest L Hartline; Dennis P Montoya; Richard Gilardi
Journal:  Angew Chem Int Ed Engl       Date:  2004-09-20       Impact factor: 15.336

6.  Molecular design of 1,2,4,5-tetrazine-based high-energy density materials.

Authors:  Tao Wei; Weihua Zhu; Xiaowen Zhang; Yu-Fang Li; Heming Xiao
Journal:  J Phys Chem A       Date:  2009-08-20       Impact factor: 2.781

7.  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
  7 in total
  28 in total

1.  Modeling and investigation of new explosive materials based on N-(3,5-dimethyl-2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-amine.

Authors:  Jelena Tamuliene; Jonas Sarlauskas; Svajone Bekesiene
Journal:  J Mol Model       Date:  2017-07-18       Impact factor: 1.810

2.  Theoretical insight into the binding energy and detonation performance of ε-, γ-, β-CL-20 cocrystals with β-HMX, FOX-7, and DMF in different molar ratios, as well as electrostatic potential.

Authors:  Rui-Zhi Feng; Shu-Hai Zhang; Fu-de Ren; Rui-Jun Gou; Li Gao
Journal:  J Mol Model       Date:  2016-05-11       Impact factor: 1.810

3.  Determination of the effects of water adsorption on the sensitivity and detonation performance of the explosive JOB-9003 by molecular dynamics simulation.

Authors:  GuiYun Hang; WenLi Yu; Tao Wang; Zhen Li
Journal:  J Mol Model       Date:  2016-10-26       Impact factor: 1.810

4.  Theoretical investigations on the structures and properties of CL-20/TNT cocrystal and its defective models by molecular dynamics simulation.

Authors:  Gui-Yun Hang; Wen-Li Yu; Tao Wang; Jin-Tao Wang
Journal:  J Mol Model       Date:  2018-06-09       Impact factor: 1.810

5.  Molecular design and screening of energetic nitramine derivatives.

Authors:  Alka Devi; Sonal Deswal; Srinivas Dharavath; Vikas D Ghule
Journal:  J Mol Model       Date:  2015-10-30       Impact factor: 1.810

6.  Theoretical investigation of the effects of the molar ratio and solvent on the formation of the pyrazole-nitroamine cocrystal explosive 3,4-dinitropyrazole (DNP)/2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20).

Authors:  Shuang-Fei Zhu; Shu-Hai Zhang; Rui-Jun Gou; Gang Han; Chun-Lei Wu; Fu-de Ren
Journal:  J Mol Model       Date:  2017-11-24       Impact factor: 1.810

7.  Theoretical prediction of the trigger linkages, surface electrostatic potentials, and explosive sensitivities of 1,4-dinitroimidazole-N-oxide in the external electric fields.

Authors:  Bao-Guo Wang; Fu-de Ren; Yong Wang
Journal:  J Mol Model       Date:  2019-11-28       Impact factor: 1.810

8.  A method for fast safety screening of explosives in terms of crystal packing and molecular stability.

Authors:  Xiaohua Hu; Nana Chen; Weichen Li
Journal:  J Mol Model       Date:  2016-07-01       Impact factor: 1.810

9.  Theoretical insights into the stabilities, detonation performance, and electrostatic potentials of cocrystals containing α- or β-HMX and TATB, FOX-7, NTO, or DMF in various molar ratios.

Authors:  Ken-Peng Song; Fu-de Ren; Shu-Hai Zhang; Wen-Jing Shi
Journal:  J Mol Model       Date:  2016-09-29       Impact factor: 1.810

10.  Comparative studies on structures, mechanical properties, sensitivity, stabilities and detonation performance of CL-20/TNT cocrystal and composite explosives by molecular dynamics simulation.

Authors:  Gui-Yun Hang; Wen-Li Yu; Tao Wang; Jin-Tao Wang; Zhen Li
Journal:  J Mol Model       Date:  2017-09-19       Impact factor: 1.810
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