零点能量
微型多孔材料
分子筛
化学物理
量子
分子动力学
维数之咒
自由度(物理和化学)
势能
化学
吸附
物理
材料科学
计算化学
热力学
量子力学
物理化学
计算机科学
有机化学
机器学习
作者
J.J.M. Beenakker,V. D. Borman,S. Yu. Krylov
标识
DOI:10.1016/0009-2614(94)01372-3
摘要
In microporous materials quantum effects in molecular adsorption and transport become of importance if the difference between pore diameter and the molecular hard core is no longer large compared to the de Broglie wavelength of radial motion. Two aspects are discussed: the freezing of the radial degrees of freedom resulting in a one dimensional gas and the situation where the zero-point energy overcompensates the attraction of the walls, creating an energy barrier at the entrance of the pores. In both cases the material can act as a quantum molecular sieve.
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