The Intermolecular Potentials for Some Simple Nonpolar Molecules
The Intermolecular Potentials for Some Simple Nonpolar Molecules
复制标题
一些简单非极性分子的分子间势
DOI：
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发表时间：
1954
期刊：
影响因子：
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通讯作者：
W. E. Rice
中科院分区：
文献类型：
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作者：
E. A. Mason;W. E. Rice
分析了Ne、A、Kr、Xe、CH_4、N_2、CO、O_2和CO_2的晶体性质、第二维里系数和粘度系数的实验数据，得到了分子间势[Open Phi](R)=e1−6/α[6αeα(1−r/Rm)−(Rmr)6]的参数值。对于分子为球形的气体，只需一组势能参数，不仅可以复制晶体、第二维里数和粘度数据，而且还可以相当准确地再现其他传输性质的数据。对于分子明显偏离球对称的气体，有必要选择至少两组不同的势能参数，以重现不同类型的性质。这样的行为表明了基本气体理论中所做的假设的不足，即分子间力是中心的，分子间碰撞是弹性的。
Experimental data on the crystal properties, second virial coefficients, and viscosity coefficients of Ne, A, Kr, Xe, CH4, N2, CO, O2, and CO2 were analyzed for the purpose of obtaining values of the parameters in the exp‐six intermolecular potential, [open phi](r)=e1−6/α[6αeα(1−r/rm)−(rmr)6]. For gases whose molecules are spherical, it was possible to reproduce, with a single set of potential parameters, not only the crystal, second virial, and viscosity data, but also data on other transport properties with fair accuracy. For gases whose molecules deviate appreciably from spherical symmetry it was necessary to choose at least two different sets of potential parameters in order to reproduce different types of properties. Such behavior was taken to indicate the inadequacy of the assumptions, made in the fundamental gas theories, that intermolecular forces are central and that intermolecular collisions are elastic.