What makes an explosion happen?

被引:7
|
作者
Sun, Chang Q. [1 ,2 ]
Yao, Chuang [1 ]
Zhang, Lei [3 ,4 ]
Huang, Yongli [5 ]
机构
[1] Yangtze Normal Univ, Sch Mat Sci & Engn, EBEAM, Chongqing 408100, Peoples R China
[2] Nanyang Technol Univ, Sch Elect & Elect Engn, NOVITAS, Singapore 639798, Singapore
[3] Inst Appl Phys & Computat Math, Software Ctr High Performance Numer Simulat, Beijing 100088, Peoples R China
[4] Inst Appl Phys & Computat Math, Lab Computat Phys, Beijing 100088, Peoples R China
[5] Xiangtan Univ, Sch Mat Sci & Engn, Xiangtan 411105, Peoples R China
基金
中国国家自然科学基金;
关键词
Hydrogen bond; Molecular interaction; Energy storage; Structure stabilization; PENTAZOLATE ANION; CYCLO-N-5(-); WATER; ANOMALIES; DENSITY; SALT;
D O I
10.1016/j.molliq.2020.112916
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Energy density and structure stability are of key concerns in devising energy materials such as CNHO molecular crystals and the emerging cyclo-N5- complexes for desired explosive functionalities with a mechanism being open for exploration. An extension of the recent progress in solvation suggests that a combination of the intermolecular hydrogen bond (X:H-Y or HBwith ':' being electron lone pair of X, Y= O or N) tension and the super-HB (X:double left right arrow:Y) or anti-HB (H <-> H) compression not only stabilizes the structure but also stores excessive energy by shortening the intramolecular bonds. The presence of the X:H constrains and the presence of the X:double left right arrow:Y and/or H.H fosters the explosion. Observations suggest that the absence of X:H-Y tension results in the spontaneous aquatic explosion of alkali metals and molten alkali halides. The lack of X:double left right arrow:Y repulsion fosters no explosion of themolten NaCl in liquid NH3, nor the molten Na2CO3 salt or H3BO3 acid in water. The findings shall offer guidelines for devising efficient energymaterials and reconciling the nature origin of water ice, aqueous solutions, and explosive energy materials - significance of electron lone pairs and protons. (C) 2020 Elsevier B.V. All rights reserved.
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页数:4
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