Nanophase coexistence and sieving in binary mixtures confined between corrugated walls

Joan E Curry, John H. Cushman

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to a corrugated slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. The micropore has atomically structured walls; one of the which possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions, that inside and that outside the grooves. Transverse solidlike order in the film gives rise to shear stress. Transverse order coupled with packing restrictions give rise to a difference between the pore and bulk fluid mixture compositions. Solidlike order may appear within the grooves only, outside the grooves only, or in both regions simultaneously. As the relative alignment of the walls is shifted the pore fluid undergoes freeze-thaw cycles in one or both regions with associated changes in the shear stress and pore fluid composition. The degree of transverse order in the film is less than would be expected in a pure Lennard-Jones film and fluid-solid phase transitions are gradual as opposed to sudden as seen in pure Lennard-Jones films. The magnitude of the shear stress is greatest when a fluid-solid phase transition occurs in both regions of the pore.

Original languageEnglish (US)
Pages (from-to)2132-2139
Number of pages8
JournalThe Journal of Chemical Physics
Volume103
Issue number6
StatePublished - 1995
Externally publishedYes

Fingerprint

Binary mixtures
binary mixtures
grooves
Fluids
fluids
shear stress
porosity
Shear stress
solid phases
fluid films
Phase transitions
thermodynamic equilibrium
slits
Monte Carlo method
strip
constrictions
Chemical analysis
alignment
Monte Carlo methods
cycles

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Nanophase coexistence and sieving in binary mixtures confined between corrugated walls. / Curry, Joan E; Cushman, John H.

In: The Journal of Chemical Physics, Vol. 103, No. 6, 1995, p. 2132-2139.

Research output: Contribution to journalArticle

@article{902027f240064eb88a32c26c544dbe69,
title = "Nanophase coexistence and sieving in binary mixtures confined between corrugated walls",
abstract = "The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to a corrugated slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. The micropore has atomically structured walls; one of the which possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions, that inside and that outside the grooves. Transverse solidlike order in the film gives rise to shear stress. Transverse order coupled with packing restrictions give rise to a difference between the pore and bulk fluid mixture compositions. Solidlike order may appear within the grooves only, outside the grooves only, or in both regions simultaneously. As the relative alignment of the walls is shifted the pore fluid undergoes freeze-thaw cycles in one or both regions with associated changes in the shear stress and pore fluid composition. The degree of transverse order in the film is less than would be expected in a pure Lennard-Jones film and fluid-solid phase transitions are gradual as opposed to sudden as seen in pure Lennard-Jones films. The magnitude of the shear stress is greatest when a fluid-solid phase transition occurs in both regions of the pore.",
author = "Curry, {Joan E} and Cushman, {John H.}",
year = "1995",
language = "English (US)",
volume = "103",
pages = "2132--2139",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "6",

}

TY - JOUR

T1 - Nanophase coexistence and sieving in binary mixtures confined between corrugated walls

AU - Curry, Joan E

AU - Cushman, John H.

PY - 1995

Y1 - 1995

N2 - The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to a corrugated slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. The micropore has atomically structured walls; one of the which possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions, that inside and that outside the grooves. Transverse solidlike order in the film gives rise to shear stress. Transverse order coupled with packing restrictions give rise to a difference between the pore and bulk fluid mixture compositions. Solidlike order may appear within the grooves only, outside the grooves only, or in both regions simultaneously. As the relative alignment of the walls is shifted the pore fluid undergoes freeze-thaw cycles in one or both regions with associated changes in the shear stress and pore fluid composition. The degree of transverse order in the film is less than would be expected in a pure Lennard-Jones film and fluid-solid phase transitions are gradual as opposed to sudden as seen in pure Lennard-Jones films. The magnitude of the shear stress is greatest when a fluid-solid phase transition occurs in both regions of the pore.

AB - The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to a corrugated slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. The micropore has atomically structured walls; one of the which possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions, that inside and that outside the grooves. Transverse solidlike order in the film gives rise to shear stress. Transverse order coupled with packing restrictions give rise to a difference between the pore and bulk fluid mixture compositions. Solidlike order may appear within the grooves only, outside the grooves only, or in both regions simultaneously. As the relative alignment of the walls is shifted the pore fluid undergoes freeze-thaw cycles in one or both regions with associated changes in the shear stress and pore fluid composition. The degree of transverse order in the film is less than would be expected in a pure Lennard-Jones film and fluid-solid phase transitions are gradual as opposed to sudden as seen in pure Lennard-Jones films. The magnitude of the shear stress is greatest when a fluid-solid phase transition occurs in both regions of the pore.

UR - http://www.scopus.com/inward/record.url?scp=0006616187&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0006616187&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0006616187

VL - 103

SP - 2132

EP - 2139

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -