SOLVATION PRESSURES FOR SIMPLE FLUIDS IN MICROPORES

被引：91

作者：

BALBUENA, PB ^{[1
]}

BERRY, D ^{[1
]}

GUBBINS, KE ^{[1
]}

机构：

[1] CORNELL UNIV, SCH CHEM ENGN, ITHACA, NY 14853 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 04期

关键词：

D O I：

10.1021/j100106a021

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 report a comprehensive study of the effects of pore size, temperature, bulk fluid density, and intermolecular potentials on the solvation pressure for simple fluids in slit pores. The calculations are based on nonlocal density functional theory. The interactions involving the fluid and wall molecules are modeled using the Lennard-Jones potential, and the effects of varying the interaction parameters (epsilon(sf)/epsilon(ff) and sigma(sf)/sigma(ff), where f and s denote fluid and solid molecules, respectively) are studied. Results are obtained for pores with both identical and nonidentical walls, and qualitative features of the results are compared with available experimental information.

引用

页码：937 / 943

页数：7

共 45 条

[1] ON THE NATURE OF DISJOINING PRESSURE OSCILLATIONS IN FLUID FILMS [J].