Total internal partition sums for molecules in the terrestrial atmosphere

被引:163
作者
Gamache, RR
Kennedy, S
Hawkins, R
Rothman, LS
机构
[1] Univ Lowell, Dept Environm Earth & Atmospher Sci, Lowell, MA 01854 USA
[2] USAF, Res Lab, VSBM, Hanscom AFB, MA 01731 USA
基金
美国国家航空航天局;
关键词
total internal partition sums; partition functions; atmospheric molecular species; HITRAN; temperature dependence of partition function;
D O I
10.1016/S0022-2860(99)00266-5
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
Total internal partition sums (TIPS) are calculated for most of the infrared absorbing molecules in the terrestrial atmosphere. The list includes the principal isotopic species and many of the lesser abundant isotopomers. The calculations are made for temperatures from 70 to 3005 K. The temperature range is divided into three regions and the resulting TIPS are fit to a third-order polynomial expression for later rapid recall of the total partition sum, Q(T). The method of calculation of Q(T) for each isotopomer, convergence of the partition sum in each temperature range, the quality of the fit of the data, and comparisons with other work are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.
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页码:407 / 425
页数:19
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