Collision induced dissociation cross-section for high energy N2-O2 collisions

被引：3

作者：

Mankodi, Tapan K. ^{[1
]}

Bhandarkar, Upendra V. ^{[1
]}

Puranik, Bhalchandra P. ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Mech Engn, Bombay 400076, Maharashtra, India

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 706卷

关键词：

QCT; Air chemistry; SIMULATION;

D O I：

10.1016/j.cplett.2018.05.058

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1 / 6

页数：6

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