用三维网络模型模拟多孔介质的吸着回路

在简单立方网络框架的基础上构造了具有规整和随机特性的三维网络模型,并引入了周期边界条件.采用Weibull分布作为孔尺寸参数的分布函数,模拟了不同配位数和孔尺寸范围下氮在多孔介质中的等温吸附和脱附过程.着重考察了多孔介质网络模型的几何性质和拓扑性质对吸着等温回路的影响.结果发现,影响吸着等温线回路形状的主要因素是孔喉的半径和网络的配位数.

SIMULATION OF SORPTION HYSTERESIS IN POROUS MEDIA USING A 3-D NETWORK MODEL

Based on a simple cubic lattice, a 3 - D network model with regular or random structures and periodic boundary was established. In this model, the pore structure is assumed to have a "chamber throat" geometry and pore sizes obey Weibull distributions. Using such a network model, the isotherms of nitrogen adsorption and desorption in porous media were simulated for various coordination numbers and different ranges of pore sizes. The effect of geometry and topology of the network model on sorption hysteresis was studied in particular. The simulation results showed that the main factors that affect the shape of sorption hysteresis are the radii of throats and the coordination number of network model.