Solvation pressures for simple fluids in micropores Academic Article uri icon

abstract

  • 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 (∈sf/∈ff and σsf/σff, 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. © 1993 American Chemical Society.

author list (cited authors)

  • Balbuena, P. B., Berry, D., & Gubbins, K. E.

citation count

  • 67

publication date

  • January 1993