CAPILLARY CONDENSATION OF A FLUID IN A SLIT-LIKE PORE FILLED WITH OBSTACLES: LATTICE MONTE CARLO SIMULATION

We study the capillary condensation of a lattice gas with nearest neighbor attraction confined to a slit-like pore filled with frozen obstacles (matrix). First, the lattice Monte Carlo simulations were performed for a slit-like pore without obstacles. Next, the pore filled with obstacles, i.e., confined microporous medium, is prepared by adsorbing and then by quenching a hard sphere fluid in the pore of the width H. The model includes fluid-wall attraction; however, the fluid-matrix interaction is entirely repulsive. We have investigated how concentration of obstacles and the pore width H influence the capillary phase diagrams. Our numerical experiments reveal essential changes in the critical temperature and in the shape of the coexistence line with the amount of quenched obstacles.

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Absence of re-entrant phase transition of the antiferromagnetic Ising model on the simple cubic lattice: Monte Carlo study of the hard-sphere lattice gas

Physica A Statistical Mechanics and its Applications ◽

10.1016/0378-4371(95)00051-8 ◽

1995 ◽

Vol 215 (4) ◽

pp. 511-517 ◽

Cited By ~ 8

Author(s):

Atsushi Yamagata

Keyword(s):

Phase Transition ◽

Monte Carlo ◽

Hard Sphere ◽

Lattice Gas ◽

Monte Carlo Study ◽

Cubic Lattice ◽

Lattice Monte Carlo ◽

Simple Cubic ◽

Simple Cubic Lattice ◽

Antiferromagnetic Ising Model

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Monte Carlo calculation ofy(r) for the hard-sphere fluid

Molecular Physics ◽

10.1080/00268977700102821 ◽

1977 ◽

Vol 34 (6) ◽

pp. 1623-1628 ◽

Cited By ~ 52

Author(s):

G. Torrie ◽

G.N. Patey

Keyword(s):

Monte Carlo ◽

Hard Sphere ◽

Monte Carlo Calculation ◽

Hard Sphere Fluid

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Statistical Thermodynamics and Surface Phase Transitions of Interacting Particles Adsorbed on One-Dimensional Channels Arranged in a Triangular Cross-Sectional Structure

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.150.73 ◽

2009 ◽

Vol 150 ◽

pp. 73-100 ◽

Cited By ~ 1

Author(s):

P.M. Pasinetti ◽

F. Romá ◽

J.L. Riccardo ◽

A.J. Ramirez-Pastor

Keyword(s):

Monte Carlo ◽

Interaction Energy ◽

Lattice Gas ◽

Nearest Neighbor ◽

Single Channel ◽

Scaling Analysis ◽

Surface Phase ◽

Cross Sectional ◽

One Dimensional ◽

Sectional Structure

Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer lattice-gas, which mimics a nanoporous environment. In this model, one-dimensional chains of atoms were arranged in a triangular cross-sectional structure. Two kinds of lateral interaction energies have been considered: (1) wL, interaction energy between nearest-neighbor particles adsorbed along a single channel and (2) wT, interaction energy between particles adsorbed across nearest-neighbor channels. We focus on the case of repulsive transverse interactions (wT > 0), where a rich variety of structural orderings are observed in the adlayer, depending on the value of the parameters kBT/wT (kB being the Boltzmann constant) and wL /wT. For wL /wT = 0, successive planes are uncorrelated, the system is equivalent to the triangular lattice, and the well-known [ ] ordered phase is found at low temperatures and a coverage, , of 1/3 [2/3]. In the more general case (wL /wT  0), the competition between interactions along a single channel and the transverse coupling between sites in neighboring channels leads to a three-dimensional adsorbed layer. Consequently, the and structures “propagate” along the channels and new ordered phases appear in the adlayer. The influence of each ordered phase on adsorption isotherms, differential heat of adsorption and configurational entropy of the adlayer has been analyzed and discussed in the context of the lattice-gas theory. Finally, the Monte Carlo technique was combined with the recently reported free energy minimization criterion approach (FEMCA) [F. Romá et al.: Phys. Rev. B Vol. 68 (2003), art. no. 205407] to predict the critical temperatures of the surface-phase transformations occurring in the adsorbate. The excellent qualitative agreement between simulated data and FEMCA results allows us to interpret the physical meaning of the mechanisms underlying the observed transitions.

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MONTE CARLO STUDIES OF A NEW MODEL DRIVEN DIFFUSIVE SYSTEM WITH REPULSIVE INTERACTIONS

Modern Physics Letters B ◽

10.1142/s021798499200137x ◽

1992 ◽

Vol 06 (26) ◽

pp. 1673-1679

Author(s):

K.K. MON

Keyword(s):

Monte Carlo ◽

Lattice Gas ◽

Nearest Neighbor ◽

Two Dimensions ◽

Model Driven ◽

New Class ◽

Driven Lattice Gas ◽

Driven Diffusive System ◽

Monte Carlo Studies ◽

Repulsive Interactions

We propose a new class of driven lattice gas with repulsive nearest-neighbor interactions. Particles are allowed to jump to empty next-nearest-neighbor (nnn) sites in addition to the standard nearest-neighbor moves. In contrast to previous model with repulsive interactions, the external driving field (E) acts only along the nnn directions and does not destroy ground state sublattice ordering. Extensive Monte Carlo simulations in two dimensions for small E are consistent with a line of continuous transitions with Ising exponents. First-order transitions are also found for larger E.

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