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Ultrafast Cold Reactions in the Bipropellant Monomethylhydrazine/Nitrogen Tetroxide: CPMD Simulations
Author(s) -
nenberg Christel,
Frank Irmgard,
Klapötke Thomas M.
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200454093
Subject(s) - molecular dynamics , chemistry , reactivity (psychology) , nitrogen , computational chemistry , organic chemistry , medicine , alternative medicine , pathology
Highly reactive intermediates , such as that shown, which arise under special conditions in hypergolic mixtures of monomethylhydrazine and nitrogen tetroxide, may trigger uncontrolled reaction behavior. Car–Parrinello molecular dynamics simulations provide an insight into the complex reactions on very short timescales.