期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 4, 期 15, 页码 3720-3726出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b110485c
关键词
-
The grand canonical Monte Carlo (GCMC) method is used to simulate adsorption recovery of CCl4 in activated carbon and layered pillared material at ambient temperature, T = 300 K. In the simulation, the activated carbon is modeled as a slit pore. CCl4 is described as a spherical Lennard-Jones molecule, and Steele's 10-4-3 potential is used to represent the interaction between a CCl4 molecule and a solid carbon wall. For the layered pillared pore, the site site interaction is used to calculate the interaction between CCl4 and the pillars. In addition, an effective model is proposed by introducing the binary interaction parameters k(fw) to the ideal layered pillared pore model. The adsorption isotherms, local density profiles and snapshots of CCl4 in slit and layered pillared pores with pore widths H = 1.70 and 2.38 nm at temperature T = 300 K are obtained. Capillary condensation of CCl4 arises at a width of 2.38 nm for both pores. However, the layered pillared pore gives higher uptake, and the capillary condensation transition takes place at lower pressure, compared with the slit pore of the same width, 2.38 nm.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据