Theoretical computation of 5-aminotetrazolium nitroformate

Wei Liu; Yu Chuan Li; Xiao Tong Li; Yu Zhang Yang; Qiu Han Lin; Si Ping Pang

doi:10.3969/j.issn.1006-9941.2013.02.011

Theoretical computation of 5-aminotetrazolium nitroformate

Wei Liu, Yu Chuan Li, Xiao Tong Li, Yu Zhang Yang, Qiu Han Lin, Si Ping Pang^*

^*Corresponding author for this work

School of Material Science and Engineering

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm^-3, and the detonation velocity and pressure were 9.47 km·s^-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

Original language	English
Pages (from-to)	213-216
Number of pages	4
Journal	Hanneng Cailiao/Chinese Journal of Energetic Materials
Volume	21
Issue number	2
DOIs	https://doi.org/10.3969/j.issn.1006-9941.2013.02.011
Publication status	Published - Apr 2013

Keywords

5-aminotetrazole
Detonation properties
Inoic salts
Nitroform
Physical chemistry

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10.3969/j.issn.1006-9941.2013.02.011

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title = "Theoretical computation of 5-aminotetrazolium nitroformate",

abstract = "The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.",

keywords = "5-aminotetrazole, Detonation properties, Inoic salts, Nitroform, Physical chemistry",

author = "Wei Liu and Li, \{Yu Chuan\} and Li, \{Xiao Tong\} and Yang, \{Yu Zhang\} and Lin, \{Qiu Han\} and Pang, \{Si Ping\}",

year = "2013",

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doi = "10.3969/j.issn.1006-9941.2013.02.011",

language = "English",

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T1 - Theoretical computation of 5-aminotetrazolium nitroformate

AU - Liu, Wei

AU - Li, Yu Chuan

AU - Li, Xiao Tong

AU - Yang, Yu Zhang

AU - Lin, Qiu Han

AU - Pang, Si Ping

PY - 2013/4

Y1 - 2013/4

N2 - The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

AB - The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

KW - 5-aminotetrazole

KW - Detonation properties

KW - Inoic salts

KW - Nitroform

KW - Physical chemistry

UR - https://www.scopus.com/pages/publications/84878757571

U2 - 10.3969/j.issn.1006-9941.2013.02.011

DO - 10.3969/j.issn.1006-9941.2013.02.011

M3 - Article

AN - SCOPUS:84878757571

SN - 1006-9941

VL - 21

SP - 213

EP - 216

JO - Hanneng Cailiao/Chinese Journal of Energetic Materials

JF - Hanneng Cailiao/Chinese Journal of Energetic Materials

IS - 2

ER -

Theoretical computation of 5-aminotetrazolium nitroformate

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Keywords

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