Capillary phenomena in the framework of the two-dimensional density functional theory

被引:6
|
作者
Ustinov, EA
Do, DD [1 ]
机构
[1] Univ Queensland, Dept Chem Engn, St Lucia, Qld 4072, Australia
[2] St Petersburg State Technol Inst, St Petersburg 190013, Russia
来源
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY | 2005年 / 11卷 / Suppl 1期
关键词
adsorption; cylindrical pore; density functional theory; capillary condensation; nucleation;
D O I
10.1007/s10450-005-5911-x
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present results of application of the density functional theory (DFT) to adsorption and desorption in finite and infinite cylindrical pores accounting for the density distribution in radial and axial directions. Capillary condensation via formation of bridges is considered using canonical and grand canonical versions of the 2D DFT. The potential barrier of nucleation is determined as a function of the bulk pressure and the pore diameter. In the framework of the conventional assumptions on intermolecular interactions both 1D and 2D DFT versions lead to the same results and confirm the classical scenario of condensation and evaporation: the condensation occurs at the vapor-like spinodal point, and the evaporation corresponds to the equilibrium transition pressure. The analysis of experimental data on argon and nitrogen adsorption on MCM-41 samples seems to not completely corroborate this scenario, with adsorption branch being better described by the equilibrium pressure - diameter dependence. This points to the necessity of the further development of basic representations on the hysteresis phenomena.
引用
收藏
页码:133 / 138
页数:6
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