Physical Chemistry Chemical Physics 2008-08-14

Formation and decay of tetrazane derivatives--a Car-Parrinello molecular dynamics study.

Christel Nonnenberg, Irmgard Frank

Index: Phys. Chem. Chem. Phys. 10(30) , 4383-92, (2008)

Full Text: HTML

Abstract

The complications during flight 510 of the Ariane Project were ascribed to problems in the upper stage engine that employs the bipropellant monomethylhydrazine (MMH) and nitrogen tetroxide (NTO). This has led to the question what conditions or reactions possibly cause an uncontrolled behaviour in the combustion process of MMH/NTO. We use first-principles molecular dynamics to investigate the reactions of the hypergolic mixture in different chemical situations. It was possible to observe the ultrafast redox reaction between the reactants on the timescale of an unconstrained simulation. We show that electrostatic attraction is crucial for the understanding of this reaction. Besides a cold reaction preceding the ignition, a reaction path leading to the highly reactive compound dimethyltetrazane could be identified.

Related Compounds

  • monomethylhydrazin...

Related Articles:

Francisella tularensis LVS surface and membrane proteins as targets of effective post-exposure immunization for tularemia.

2015-02-06

[J. Proteome Res. 14(2) , 664-75, (2015)]

Enantioselective synthesis of epoxides having a tetrasubstituted trifluoromethylated carbon center: methylhydrazine-induced aerobic epoxidation of β,β-disubstituted enones.

2013-02-18

[Angew. Chem. Int. Ed. Engl. 52(8) , 2221-5, (2013)]

Determination of hydrazine, monomethylhydrazine, 1,1-dimethylhydrazine, and 1,2-dimethylhydrazine by nonaqueous capillary electrophoresis with amperometric detection.

2005-09-01

[Electrophoresis 26(17) , 3341-8, (2005)]

Ion mobility spectrometry of hydrazine, monomethylhydrazine, and ammonia in air with 5-nonanone reagent gas.

1993-01-01

[Anal. Chem. 65 , 1696-702, (1993)]

Gas chromatography-mass spectrometry determination of the pentafluorobenzoyl derivative of methylhydrazine in false morel (Gyromitra esculenta) as a monitor for the content of the toxin gyromitrin.

2006-09-01

[J. Chromatogr. A. 1125(2) , 229-33, (2006)]

More Articles...