TEMPERATURE-DEPENDENCE OF N+N-2 RATE COEFFICIENTS

被引:74
作者
LAGANA, A [1 ]
GARCIA, E [1 ]
机构
[1] UNIV BASQUE COUNTRY, DEPT QUIM FIS, E-48080 BILBAO, SPAIN
关键词
D O I
10.1021/j100053a025
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
After the validity of two model potential energy surfaces was tested, quasiclassical calculations of vibrational deexcitation rate coefficients for the nitrogen-atom nitrogen-molecule reaction were performed for a range of reactant vibrational numbers extending up to v = 45 and a set of translational and rotational temperatures ranging from 500 to 4000 K. The different effect of varying either the rotational or the translational temperature on the relative efficiency of reactive and nonreactive vibrational transitions is discussed in detail.
引用
收藏
页码:502 / 507
页数:6
相关论文
共 24 条
[1]  
ALVARINO JM, 1989, SUPERCOMPUTER ALGORI
[2]   DEACTIVATION DYNAMICS OF VIBRATIONALLY EXCITED NITROGEN MOLECULES BY NITROGEN-ATOMS - EFFECTS ON NONEQUILIBRIUM VIBRATIONAL DISTRIBUTION AND DISSOCIATION RATES OF NITROGEN UNDER ELECTRICAL DISCHARGES [J].
ARMENISE, I ;
CAPITELLI, M ;
GARCIA, E ;
GORSE, C ;
LAGANA, A ;
LONGO, S .
CHEMICAL PHYSICS LETTERS, 1992, 200 (06) :597-604
[3]   REACTIONS OF ACTIVE NITROGEN WITH N-150 AND N2-15 [J].
BACK, RA ;
MUI, JYP .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (07) :1362-&
[4]  
BARAGLIA R, 1991, HIGH PERFORMANCE COM
[5]  
BARNAN E, 1969, J CHEM PHYS, V47, P2878
[6]   MECHANISMS FOR VIBRATIONAL RELAXATION AT HIGH TEMPERATURES [J].
BAUER, SH ;
TSANG, SC .
PHYSICS OF FLUIDS, 1963, 6 (02) :182-189
[7]  
Bunker D. L., 1971, METHODS COMPUTATIONA, V10, P287
[8]  
Capitelli M., 1986, NONEQUILIBRIUM VIBRA
[9]  
CAPITELLI M, 1990, NONEQUILIBRIUM PROCE
[10]   QUASICLASSICAL SMOOTH SAMPLING STUDY OF THRESHOLD BEHAVIOR FOR THE COLLINEAR REACTION X+F-2-]XF+F(X=MU,H,D,T) [J].
CONNOR, JNL ;
LAGANA, A .
COMPUTER PHYSICS COMMUNICATIONS, 1979, 17 (1-2) :145-148