Hostname: page-component-6bf8c574d5-h6jzd Total loading time: 0.001 Render date: 2025-02-14T22:26:43.076Z Has data issue: false hasContentIssue false
  • English
  • Français

Mixtures in Slit-Micropores with Pore-Walls Structured on Both the Atomic and Nanoscale

Published online by Cambridge University Press:  15 February 2011

J. E. Curry  and
J. H. Cushman
J. E. Curry
Affiliation:
Center for Applied Mathematics, Math Sciences Building, Purdue University, West Lafayette, IN 47907
J. H. Cushman
Affiliation:
Center for Applied Mathematics, Math Sciences Building, Purdue University, West Lafayette, IN 47907
Get access

Abstract

The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to various corrugated slit-micropores which are in thermodynamic equilibrium with their bulk phase counterpart. The micropore walls have the structure of the (100) face of an fcc lattice. In addition to this atomic scale structure, one wall possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions. The confined film is studied in each region as a function of groove width, bulk phase composition, and the size of the wall atoms.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 366: Symposium N – Dynamics in Small Confining Systems , 1994 , 141
Copyright
Copyright © Materials Research Society 1995

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids (Oxford University Press, 1989)Google Scholar
2. Schoen, M., Computer Simulation of Condensed Phases in Complex Geometric (Springer-Verlag, Heidelberg, 1993)Google Scholar
3. Schoen, M., Diestler, D.J., and Cushman, J.H., J. Chem. Phys. 87, 5464 (1987)Google Scholar
4. Schoen, M., Cushman, J.H., Diestler, D.J., and Rhykerd, C.L., Jr., J. Chem. Phys. 88, 1394 (1988)Google Scholar
5. Curry, J.E., Zhang, F., Cushman, J.H., Schoen, M., and Diestler, D.J., J. Chem. Phys. (1994), in pressGoogle Scholar
6. Curry, J.E. and Cushman, J.H., Mol. Phys. (1994), submittedGoogle Scholar
7. Somers, S.A., McCormick, A.V., and Davis, H.T., J. Chem. Phys. 87, 5464 (1987)Google Scholar
8. Curry, J.E. and Cushman, J.H., J. Chem. Phys. (1994), submittedGoogle Scholar
9. Adams, D.J., Mol. Phys. 29, 307 (1975)Google Scholar
10. Schoen, M., Rhykerd, C.L., Jr., Diestler, D.J., and Cushman, J.H., Science 245, 1223 (1989)Google Scholar