Why mixtures of hydrazine and dinitrogen tetroxide are hypergolic?

被引：29

作者：

Lai, Ke-Yu ^{[2
]}

Zhu, Rongshun ^{[1
]}

Lin, M. C. ^{[1
,2
]}

机构：

[1] Emory Univ, Dept Chem, Atlanta, GA 30322 USA

[2] Natl Chiao Tung Univ, Ctr Interdisciplinary Mol Sci, Hsinchu 300, Taiwan

来源：

CHEMICAL PHYSICS LETTERS | 2012年 / 537卷

关键词：

NITROSONIUM NITRATE; INFRARED-SPECTRA; NITROGEN-DIOXIDE; HIGH-PRESSURE; THIN-FILMS; N2O4; TEMPERATURE; RAMAN; ENERGIES; OXIDES;

D O I：

10.1016/j.cplett.2012.04.015

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：

The reactions of N2H4 with N2O4 isomers have been investigated at the G2M(CC3)//B3LYP/6311++G(3df,2p) level. The results show that the reactions of N2H4 with sym-N2O4 (D-2h), cis-ONONO2 (C-s), and NO2 have to overcome 14.2, 10.6, and 7.6 kcal/mol barriers, respectively. However, N2H4 can react spontaneously with trans-ONONO2 (C-s) and cis-ONONO2 (C-1) to produce HONO2 + H2NN(H)NO with the near gas-kinetic rate constant, 4 x 10(-10) cm(3) molecule(-1) s(-1) above 250 K. The H2NN( H) NO thus formed can rapidly fragment to give reactive N2H3 radical with rate constant > 1 x 10(7) s(-1) at 1000 K, which is fast enough to initiate the hypergolic chain reactions with NO2 and N2O4. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：33 / 37

页数：5

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