Monte Carlo simulation of a lattice gas model of multilayer adsorption

Kim, I.M.; Landau, D. P.

doi:10.1016/0039-6028(81)90648-8

Cited by 53 publications

(3 citation statements)

References 20 publications

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“…A comprehensive description of the results can be found in many books and review articles [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 ]. Among the most frequently used theoretical models of adsorption are various lattice gas models [ 3 , 8 , 10 , 11 , 12 , 13 , 14 , 14 ]. Although such models are rather crude approximations to real systems, the emerging results resemble experimental results for multilayer adsorption quite well.…”

Section: Introductionmentioning

confidence: 99%

“…A common feature of those early theoretical models was the negligence of attractive adsorbate–adsorbate interactions. Later, lattice models of multilayer adsorption involving attractive interactions between fluid particles were developed [ 10 , 13 ]. These models were applied to study adsorption of single component fluids and binary mixtures, using various mean-field theories [ 10 , 13 , 14 , 17 , 18 , 19 ], renormalization group methods [ 20 , 21 ] and computer simulations [ 11 , 13 , 14 , 22 , 23 , 24 , 25 , 26 , 26 ].…”

Section: Introductionmentioning

confidence: 99%

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Lattice Model of Multilayer Adsorption of Particles with Orientation Dependent Interactions at Solid Surfaces

Patrykiejew

2021

Molecules

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A simple lattice model has been used to study the formation of multilayer films by fluids with orientation-dependent interactions on solid surfaces. The particles, composed of two halves (A and B) were allowed to take on one of six different orientations. The interaction between a pair of differently oriented neighboring particles was assumed to depend on the degrees to which their A and B parts overlap. Here, we have assumed that the AA interaction was strongly attractive, the AB interaction was set to zero, while the BB interaction was varied between 0 and −1.0. The ground state properties of the model have been determined for the systems being in contact with non-selective and selective walls over the entire range of BB interaction energies between 0 and −1.0. It has been demonstrated that the structure of multilayer films depends on the strengths of surface potential felt by differently oriented particles and the interaction between the B halves of fluid particles. Finite temperature behavior has been studied by Monte Carlo simulation methods. It has been shown that the bulk phase phase diagram is qualitatively independent of the BB interaction energy, and has the swan neck shape, since the high stability of the dense ordered phase suppresses the possibility of the formation of disordered liquid-like phase. Only one class of non-uniform systems with the BB interaction set to zero has been considered. The results have been found to be consistent with the predictions stemming form the ground state considerations. In particular, we have found that a complete wetting occurs at any temperature, down to zero. Furthermore, the sequences of layering transitions, and the structure of multilayer films, have been found to be the same as observed in the ground state.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Lattice Model of Multilayer Adsorption of Particles with Orientation Dependent Interactions at Solid Surfaces

Patrykiejew

2021

Molecules

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“…The roughening transition for a bulk system has been observed experimentally. 3 Subsequent calculations by Ebner, 4 Saam, 5 Kim and Landau, 6 Pandit, Schick, and Wortis, 7 and Weeks, 8 using techniques which avoid the shortcomings of the mean-field theory, have produced the expected results represented in Fig. 1, which shows the amount of adsorbed phase 9 as a function of pressure P (related to the chemical potential) and temperature T. This equilibrium surface displays the effects predicted by de Oliveira and Griffiths 1 (first-order steps in low-temperature adsorption isotherms, continuous adsorption at high temperature, and critical points in between), but now the critical points for layers far from the substrate approach the bulk roughening temperature T R .…”

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confidence: 99%

Experimental Observation of the Increase of the Two-Dimensional Critical Temperature in Multilayer Adsorption

Ramesh¹,

Zhang²,

Torzo³

et al. 1984

Phys. Rev. Lett.

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Measurements of multilayer adsorption of solid 4 He on graphite have been made for 0.965 K^ T^ 1.24 K at intervals of ~ 15 mK using fourth sound in He II as a probe. The first observation of the increase of the two-dimensional critical temperature T cj with increasing layer number j is reported. We extrapolate our values of T cj for j -• oo and obtain the bulkroughening transition temperature, confirming a prediction of current theories. The modeling of the acoustics including effects of the solid-liquid interface is also presented.

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Monte Carlo Calculations on Phase Transitions in Adsorbed Layers

Binder

Landau

1989

Advances in Chemical Physics

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Monte Carlo simulation of a lattice gas model of multilayer adsorption

Cited by 53 publications

References 20 publications

Lattice Model of Multilayer Adsorption of Particles with Orientation Dependent Interactions at Solid Surfaces

Lattice Model of Multilayer Adsorption of Particles with Orientation Dependent Interactions at Solid Surfaces

Experimental Observation of the Increase of the Two-Dimensional Critical Temperature in Multilayer Adsorption

Monte Carlo Calculations on Phase Transitions in Adsorbed Layers

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