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Cubic fuels?
Author(s) -
Schmidt Michael W.,
Gordon Mark S.,
Boatz Jerry A.
Publication year - 2000
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(2000)76:3<434::aid-qua12>3.0.co;2-w
Subject(s) - propellant , chemistry , combustion , dissociation (chemistry) , decomposition , specific impulse , thermodynamics , computational chemistry , physics , organic chemistry
The cubic molecules C 4 O 4 , N 8 , and Si 8 R 8 are considered as possible high‐energy propellants. The potential energy surface minimum for C 4 O 4 is found to be incapable of supporting any bound vibrational levels. N 8 's decomposition to 4 N 2 is mapped in detail, but the initial barrier of its rather complicated dissociation is too modest to allow hope for its handling in bulk quantity. Si 8 H 8 is found to be the most promising additive among the four R's considered, but simulation of its combustion in an LH2/LOX rocket gives only a 6‐s specific impulse enhancement. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 76: 434–446, 2000