RATE CONSTANTS FOR OZONE FORMATION AND FOR ISOTOPIC EXCHANGE-REACTIONS

被引:28
作者
GROSS, A
BILLING, GD
机构
[1] Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen
关键词
D O I
10.1016/0301-0104(93)80155-3
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
Rate constants for the formation of ozone O2+O+M-->O3+M and the isotopic substitution reactions O-16+O-18(2)-->O-16O-18+O-18, and O-18+O-16O-18-->O-18(2)+O-16 have been calculated using two different potential energy surfaces. The calculations have been carried out using a quasiclassical trajectory method in which the classical equations of motion are solved using hyperspherical coordinates for the three-body problem. The ter-molecular rate constant for the formation of ozone has been obtained from the calculated life-times of the ozone molecules formed by the O2 + O colliSionS Using a simple collision model for the O3 + M stabilization.
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页码:393 / 406
页数:14
相关论文
共 23 条
[1]   KINETICS OF THE ISOTOPE EXCHANGE-REACTION OF O-18 WITH NO AND O-2 AT 298-K [J].
ANDERSON, SM ;
KLEIN, FS ;
KAUFMAN, F .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (04) :1648-1656
[2]   ON EXCHANGE REACTION 16O+18O2 [J].
BRENNEN, W ;
NIKI, H .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (10) :3725-&
[3]   ON THE INTERPRETATION OF HALOGEN ATOM RECOMBINATION RATES [J].
BUNKER, DL ;
DAVIDSON, N .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (19) :5090-5096
[4]   MECHANICS OF ATOMIC RECOMBINATION REACTIONS [J].
BUNKER, DL .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (04) :1001-1005
[5]   HIGH-PRESSURE RANGE OF THE RECOMBINATION O+O2-]O3 [J].
DECOBOS, AEC ;
TROE, J .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1984, 16 (12) :1519-1529
[6]   IMPORTANCE SAMPLING AND HISTOGRAMMIC REPRESENTATIONS OF REACTIVITY FUNCTIONS AND PRODUCT DISTRIBUTIONS IN MONTE-CARLO QUASICLASSICAL TRAJECTORY CALCULATIONS [J].
FAIST, MB ;
MUCKERMAN, JT ;
SCHUBERT, FE .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (09) :4087-4096
[7]  
HAY PJ, 1982, J PHYS CHEM-US, V86, P862, DOI 10.1021/j100395a002
[8]   MASS SPECTROMETRIC STUDY OF ISOTOPIC EXCHANGE RATE OF OXYGEN ATOMS WITH O2 NO + NO2 [J].
HERRON, JT ;
KLEIN, FS .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) :2731-+
[9]   TEMPERATURE AND PRESSURE-DEPENDENCE OF OZONE FORMATION RATES IN THE RANGE 1-1000-BAR AND 90-370-K [J].
HIPPLER, H ;
RAHN, R ;
TROE, J .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (09) :6560-6569
[10]  
HIPPLER H, 1971, BERICH BUNSEN GESELL, V75, P27