Dynamics study of the OH+O2 branching atmospheric reaction.: 2.: Influence of reactants internal energy in HO2 and O3 formation

被引:22
作者
Caridade, PJSB
Zhang, L
Garrido, JD
Varandas, AJC [1 ]
机构
[1] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal
[2] Inst Super Ciencias & Tecnol Nucl, Dept Fis Gen & Matemat, La Havana 6163, Cuba
关键词
D O I
10.1021/jp004308o
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
The effect of reactants vibrational and rotational excitation on products (HO2 + O and O-3 + H) formation is investigated for the title reaction by using the quasiclassical trajectory method and the realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. It is shown that it can be a potential source of ozone in the upper atmosphere.
引用
收藏
页码:4395 / 4402
页数:8
相关论文
共 42 条
[1]   Infrared chemiluminescence from H+O-3 at low pressure [J].
Anlauf, K. G. ;
Macdgnald, R. G. ;
Polann, J. C. .
CHEMICAL PHYSICS LETTERS, 1968, 1 (13) :619-622
[2]   ATOMIC RESONANCE FLUORESCENCE FOR RATE CONSTANTS OF RAPID BIMOLECULAR REACTIONS .5. HYDROGEN-ATOM REACTIONS H+NO2 AND H+O3 [J].
CLYNE, MAA ;
MONKHOUSE, PB .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1977, 73 :298-309
[3]   Mesospheric mysteries [J].
Crutzen, P .
SCIENCE, 1997, 277 (5334) :1951-1952
[4]   FORMATION AND VIBRATIONAL-RELAXATION OF OH (X2-PI-I,V) BY O2 AND CO2 [J].
DODD, JA ;
LIPSON, SJ ;
BLUMBERG, WAM .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (08) :5752-5762
[5]   THE PRODUCTION OF O(3P) AND GROUND-STATE OH IN THE REACTION OF HYDROGEN-ATOMS WITH OZONE [J].
FINLAYSONPITTS, BJ ;
KLEINDIENST, TE ;
EZELL, MJ ;
TOOHEY, DW .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4533-4543
[6]   REACTION OF HYDROGEN-ATOMS WITH OZONE - EVIDENCE FOR A 2ND REACTION PATH PRODUCING HO2 AND O(P-3) [J].
FINLAYSONPITTS, BJ ;
KLEINDIENST, TE .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (10) :4804-4806
[7]   LASER PHOTOLYSIS OF O-3-H-2 MIXTURES - THE YIELD OF THE H+O-3-]HO2+O REACTION [J].
FORCE, AP ;
WIESENFELD, JR .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1718-1723
[8]   Dynamics study of the HO(v′=0)+O2(v") branching atmospheric reaction.: 1.: Formation of hydroperoxyl radical [J].
Garrido, JD ;
Caridade, PJSB ;
Varandas, AJC .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (25) :4815-4822
[9]   The vibrational distribution of O2(X 3Σg-) produced in the photodissociation of ozone between 226 and 240 and at 266 nm [J].
Geiser, JD ;
Dylewski, SM ;
Mueller, JA ;
Wilson, RJ ;
Toumi, R ;
Houston, PL .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (03) :1279-1286
[10]   TIME-RESOLVED EMISSION STUDIES OF VIBRATIONALLY EXCITED HYDROXYL RADICALS - OH(X2-PI, V''=9) [J].
GREENBLATT, GD ;
WIESENFELD, JR .
JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS AND ATMOSPHERES, 1982, 87 (NC13) :1145-1152