Isotopic Partition Function Ratios Involving H2, H2O, H2S, H2Se, and NH3
Isotopic Partition Function Ratios Involving H2, H2O, H2S, H2Se, and NH3
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DOI：
10.1515/zna-1973-0203
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发表时间：
1973-02
期刊：
影响因子：
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通讯作者：
J. Bron;Chen-Fee Chang;M. Wolfsberg
中科院分区：
文献类型：
--
作者：
J. Bron;Chen-Fee Chang;M. Wolfsberg
理想的气相同位素的分配函数比，包括氘和氚取代氢和重原子取代H2，H2O，H2S，H2Se，和NH3已计算在一些温度下。结果已被最小二乘拟合到（300/T）的幂的五项序列。在配分函数比的计算中考虑了谐波近似的各种校正因子。它表明，表中的比率可以用来计算同位素交换反应的平衡常数。
Ideal gas phase isotopic partition function ratios involving both deuterium and tritium substitution for hydrogen and also heavy atom substitution in H2, H2O, H2S, H2Se, and NH3 have been calculated at a number of temperatures. The results have been least squares fitted to a five term series in powers of (300/T). Various correction factors to the harmonic approximation were considered in the calculation of the partition function ratios. It is demonstrated that the tabulated ratios can be used to calculate equilibrium constants for isotopic exchange reactions.