School of Chemical Engineering, University of Queensland, St. Lucia, QLD 4072, Australia.
Langmuir. 2013 Mar 5;29(9):2927-34. doi: 10.1021/la304876m. Epub 2013 Feb 20.
We present a simulation study of argon adsorption in a closed-end mesopore of uniform diameter in order to investigate the occurrence of hysteresis and propose two principal reasons for its existence: the variation in the shape and radius of curvature of the meniscus and the change in the packing of adsorbate during adsorption and desorption. This interpretation differs from classical theories that neglect both of these factors, and therefore find that adsorption-desorption in a closed-end pore is reversible. A detailed simulation study of the effects of temperature on the microscopic behavior of the adsorbate supports the interpretation proposed here.
我们进行了一项模拟研究，探讨了在具有均匀直径的封闭介孔中氩气的吸附行为，以研究滞后现象的发生，并提出了其存在的两个主要原因：弯月面形状和曲率半径的变化，以及吸附和解吸过程中吸附物的堆积方式的变化。这种解释与经典理论不同，经典理论忽略了这两个因素，因此认为在封闭孔中的吸附-解吸是可逆的。对温度对吸附物微观行为影响的详细模拟研究支持了这里提出的解释。
