Master equation analysis of pressure-dependent atmospheric reactions

被引:94
作者
Barker, JR [1 ]
Golden, DM
机构
[1] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA
[2] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA
[3] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
关键词
D O I
10.1021/cr020655d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Pressure and temperature dependent reactions were analyzed using master equations. The effect of energy transfer, angular momentum, and potential energy on such reactions was also studied. The master equations described quantitatively the simultaneous interplay of energy-dependent collisional energy transfer and energy-dependent chemical reactions. Conventional unimolecular reaction rate theory, electronic structure calculations and ancillary chemical kinetics data were also used for the study. Reactions were pressure-dependent when the rate of collisional energy transfer was competitive with the rate of chemical process that depended on internal energy.
引用
收藏
页码:4577 / 4591
页数:15
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