Handford Thomas P, Pérez-Reche Francisco J, Taraskin Sergei N
Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jul;88(1):012139. doi: 10.1103/PhysRevE.88.012139. Epub 2013 Jul 30.
A lattice-gas model with heterogeneity is developed for the description of fluid condensation in finite sized one-dimensional pores of arbitrary shape. Mapping to the random-field Ising model allows an exact solution of the model to be obtained at zero-temperature, reproducing the experimentally observed dependence of the amount of fluid adsorbed in the pore on external pressure. It is demonstrated that the disorder controls the sorption for long pores and can result in H2-type hysteresis. Finite-temperature Metropolis dynamics simulations support analytical findings in the limit of low temperatures. The proposed framework is viewed as a fundamental building block of the theory of capillary condensation necessary for reliable structural analysis of complex porous media from adsorption-desorption data.
为描述任意形状的有限尺寸一维孔隙中的流体冷凝，开发了一种具有非均匀性的格子气模型。映射到随机场伊辛模型可在零温度下获得该模型的精确解，再现了实验观察到的孔隙中吸附流体量对外压的依赖性。结果表明，无序控制长孔隙的吸附，并可能导致H2型滞后现象。有限温度的 metropolis 动力学模拟在低温极限下支持了分析结果。所提出的框架被视为从吸附 - 解吸数据对复杂多孔介质进行可靠结构分析所必需的毛细凝聚理论的基本组成部分。
