화학공학소재연구정보센터
Chemical Physics Letters, Vol.706, 1-6, 2018
Collision induced dissociation cross-section for high energy N-2-O-2 collisions
Cross-sections for O-2 and N-2 dissociation on N2O2 CASSCF-CASPT2 PES are calculated and reported for high energy collisions (up to 30 eV). An earlier reported weighted data fitting scheme for enumerating the entire cross-section database is modified and extended for the N2O2 system. The cross-section database is suitable for studying reactions in hypersonic flows especially with high degree of nonequilibrium. Additionally, the relevance on NO formation as a result of N-2-O-2 collision is explored. (C) 2018 Elsevier B.V. All rights reserved.