COLLISION-THEORY CALCULATIONS OF RATE CONSTANTS FOR SOME ATMOSPHERIC RADICAL REACTIONS OVER THE TEMPERATURE-RANGE 10-600-K

被引:30
作者
PHILLIPS, LF
机构
[1] Chemistry Department, University of Canterbury, Christchurch
关键词
D O I
10.1021/j100382a033
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 have been calculated for a number of bimolecular reactions of HO2, OH, H, ClO, BrO, SO, O(3P), O(1D), NO, and NO2, over the temperature range 10-600 K. For half of the reactions studied so far, calculated capture rates agree with listed experimental rate constants at 300 K to within the stated uncertainties, and calculated temperature coefficients are also consistent with experimental data. Three of the rate constants have not been measured experimentally. For the remaining reactions the calculated value is greater than the measured value and the difference can normally be attributed to the presence of an exit channel barrier, in which case it is possible to predict the form of the temperature dependence to be expected as T tends to zero. © 1990 American Chemical Society.
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页码:7482 / 7487
页数:6
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