NTO Decomposition Studies

1995 ◽  
Vol 418 ◽  
Author(s):  
J. C. Oxley ◽  
J. L. Smith ◽  
K. E. Yeager ◽  
E. Rogers ◽  
X. X. Dong
Keyword(s):  
Thermal Decomposition ◽  
Condensed Phase ◽  
Isotopic Labeling ◽  
Insoluble Residue ◽  
Decomposition Products

AbstractTo examine the thermal decomposition of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) in detail, isotopic labeling studies were undertaken. NTO samples labeled with 15N in three different locations [ N(l) and N(2), N(4), and N (6)] were prepared.1 Upon thermolysis, the majority of the NTO condensed-phase product was a brown, insoluble residue, but small quantities of 2,4,-dihydro-3H- 1,2,4-triazol-3-one (TO) and triazole were detected.2 Gases comprised the remainder of the NTO decomposition products. The analysis of these gases is reported herein along with mechanistic implications of these observations.

Explosive Thermal Decomposition Mechanism of NTO

1995 ◽  
Vol 418 ◽  
Author(s):  
David J. Beardall ◽  
Tod R. Botcher ◽  
Charles A. Wight
Keyword(s):  
Thin Films ◽  
Thermal Decomposition ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Condensed Phase ◽  
Decomposition Product ◽  
Rapid Heating ◽  
Initial Step ◽  
Thermal Decomposition Mechanism ◽  
Decomposition Products

AbstractThe initial step of the thermal decomposition of NTO (5-nitro-2,4-dihydro-3H-1,2,4- triazol-3-one) is determined by pulsed infrared laser pyrolysis of thin films. Rapid heating of the film and quenching to 77 K allows one to trap the initial decomposition products in the condensed phase and analyze them using transmission Fourier-transform infrared spectroscopy. The initial decomposition product is CO2; NO2 and HONO are not observed. We propose a new mechanism for NTO decomposition in which CO2 is formed.

The thermal decomposition of RDX at temperatures below the melting point. I. Comments on the mechanism

1970 ◽  
Vol 23 (4) ◽  
pp. 737 ◽  
Author(s):  
JJ Batten ◽  
DC Murdie
Keyword(s):  
Thermal Decomposition ◽  
Melting Point ◽  
Liquid Phase ◽  
Condensed Phase ◽  
Initial Rate ◽  
Decomposition Products ◽  
Sample Geometry

Two mechanisms have recently been proposed to explain the behaviour of the initial rate of decomposition of RDX, with change in sample geometry. These are (i)that the decomposition proceeds by concurrent gas and liquid phase reactions, and (ii) that gaseous decomposition products influence the rate of decomposition of undecomposed RDX in the condensed phase. In this paper it is concluded that mechanism (ii) is the more probable when the reaction is carried out in the presence of nitrogen.

Theoretical study on the formation of carbon disulfide and ammonia from thermal decomposition products of thiourea

2014 ◽  
Vol 13 (04) ◽  
pp. 1450022 ◽  
Author(s):  
Zerong Daniel Wang ◽  
Meagan Hysmith ◽  
Perla Cristina Quintana
Keyword(s):  
Thermal Decomposition ◽  
Carbon Disulfide ◽  
Density Functional ◽  
Basis Sets ◽  
Structural Isomer ◽  
Consecutive Reaction ◽  
Functional Theory ◽  
Decomposition Products ◽  
Thermal Decomposition Products ◽  
Hybrid Module

The formation of carbon disulfide ( CS 2) and ammonia ( NH 3) from the thermal decomposition products of thiourea has been studied with MP2, and hybrid module-based density functional theory methods (B3LYP, MPW1PW91 and PBE1PBE), each in conjunction with five different basis sets (6-31+G(2d,2p), 6-311++G(2d,2p), DGDZVP, DGDZVP2 and DGTZVP). The free energy changes and activation energies for all the five primitive reactions involved in the formation of CS 2 and NH 3 have been compared and discussed. The results indicate that CS 2 is most likely formed in a consecutive reaction path that consists of the addition of hydrogen sulfide ( H 2 S ) to isothiocyanic acid (HNCS) to generate carbamodithioic acid and subsequent decomposition of carbamodithioic acid. By contrast, thiocyanic acid (HSCN) as the structural isomer of isothiocyanic acid is not likely the source of CS 2.

Transport and condensation of soft a-C:H film thermal decomposition products

2003 ◽  
Vol 313-316 ◽  
pp. 460-464 ◽  
Author(s):  
A.E. Gorodetsky ◽  
R.Kh. Zalavutdinov ◽  
I.I. Arkhipov ◽  
V.Kh. Alimov ◽  
A.P. Zakharov ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Decomposition Products ◽  
Thermal Decomposition Products
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