Bryk P, Rzysko W, Malijevsky Al, Sokołowski S
Department for the Modeling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland.
J Colloid Interface Sci. 2007 Sep 1;313(1):41-52. doi: 10.1016/j.jcis.2007.03.077. Epub 2007 Apr 27.
The effect of surface roughness of slit-like pore walls on the capillary condensation of a spherical particles and short chains is studied. The gas molecules interact with the substrate by a Lennard-Jones (9,3) potential. The rough layer at each pore wall has a variable thickness and density and consists of a disordered quenched matrix of spherical particles. The system is described in the framework of a density functional approach and using computer simulations. The contribution due to attractive van der Waals interactions between adsorbate molecules is described by using first-order mean spherical approximation and mean-field approximation.
研究了狭缝状孔壁表面粗糙度对球形颗粒和短链分子毛细凝聚的影响。气体分子通过Lennard-Jones(9,3)势与基底相互作用。每个孔壁上的粗糙层具有可变的厚度和密度,由球形颗粒的无序淬火基质组成。该系统在密度泛函方法的框架内进行描述,并使用计算机模拟。吸附质分子之间的范德华吸引相互作用的贡献通过一阶平均球近似和平均场近似来描述。