Phase diagram of a two-dimensional lattice gas model of a ramp system

Almarza, N. G.; Capitán, José A.; Cuesta, José A.; Lomba, Enrique

doi:10.1063/1.3223999

Cited by 28 publications

(45 citation statements)

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In analogy to other two length scale interaction lattice models, [18][19][20][21] this model is expected to exhibit a region of density anomalies in its phase diagram. The phase diagram of this model was investigated for different values of the bonding strength, with different approaches: under a mean-field approach, 17,22,23 with renormalization group techniques 24,25 and very recently, through detailed numerical simulations.…”

Section: The Bl Model and Phase Diagrammentioning

confidence: 99%

Diffusion anomaly and dynamic transitions in the Bell–Lavis water model

Szortyka

Fiore

Henriques

et al. 2010

The Journal of Chemical Physics

View full text Add to dashboard Cite

A molecular dynamics investigation of the structural and dynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide J. Chem. Phys. 135, 124507 (2011) Dynamics of thermal diffusion in a linear temperature field J. Appl. Phys. 110, 044908 (2011) Soret motion in non-ionic binary molecular mixtures J. Chem. Phys. 135, 054102 (2011) On the coupling between slow diffusion transport and barrier crossing in nucleation J. Chem. Phys In this paper we investigate the dynamic properties of the minimal Bell-Lavis ͑BL͒ water model and their relation to the thermodynamic anomalies. The BL model is defined on a triangular lattice in which water molecules are represented by particles with three symmetric bonding arms interacting through van der Waals and hydrogen bonds. We have studied the model diffusivity in different regions of the phase diagram through Monte Carlo simulations. Our results show that the model displays a region of anomalous diffusion which lies inside the region of anomalous density, englobed by the line of temperatures of maximum density. Further, we have found that the diffusivity undergoes a dynamic transition which may be classified as fragile-to-strong transition at the critical line only at low pressures. At higher densities, no dynamic transition is seen on crossing the critical line. Thus evidence from this study is that relation of dynamic transitions to criticality may be discarded.

show abstract

Section: The Bl Model and Phase Diagrammentioning

confidence: 99%

Diffusion anomaly and dynamic transitions in the Bell–Lavis water model

Szortyka

Fiore

Henriques

et al. 2010

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…This family was recently investigated by means of Monte Carlo simulations in an extensive study by Marques Fernandes et al [10] for hard-core sizes corresponding with exclusions up to the fifth neighbors. There are also other studies [11][12][13][14][15] that include the model of Eq. (1) as a specific case.…”

Section: Introductionmentioning

confidence: 99%

Lattice gas with nearest- and next-to-nearest-neighbor exclusion

2011

View full text Add to dashboard Cite

We investigate a hard-square lattice gas on the square lattice by means of transfer-matrix and Monte Carlo methods. The size of the hard squares is equal to two lattice constants, so the simultaneous occupation of nearest-neighbor sites as well as of next-to-nearest-neighbor sites is excluded. Near saturation of the particle density, this system is known to undergo a phase transition to one out of four partially ordered phases. We find that this transition displays strong finite-size corrections to scaling and that the correlation functions deviate from isotropy to rather large distances. In contrast with an earlier study, we find that the critical temperature exponent of the transition is not Ising-like.

show abstract

“…Our results point to the coincidence of the extrema of both solubility and density, in agreement with theories based on the cavity model for simple hard spheres. [7][8][9] Even though there are a number of two and three dimensional lattice models that would in principle exhibit the anomalies present in water, 6,16,[19][20][21] here water is represented by the associating lattice gas (ALG) (Refs. [22][23][24][25][26][27][28]) that has already shown the density and diffusion anomalies described above.…”

Section: Introductionmentioning

confidence: 99%

Structure and anomalous solubility for hard spheres in an associating lattice gas model

Szortyka

Girardi

Henriques

et al. 2012

The Journal of Chemical Physics

View full text Add to dashboard Cite

In this paper we investigate the solubility of a hard-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model. Model properties are investigated both through Monte Carlo simulations and a cluster approximation. The model solubility is computed via simulations and is shown to exhibit a minimum as a function of temperature. The line of minimum solubility (TmS) coincides with the line of maximum density (TMD) for different solvent chemical potentials, in accordance with the literature on continuous realistic models and on the "cavity" picture.

show abstract

Phase diagram of a two-dimensional lattice gas model of a ramp system

Cited by 28 publications

References 57 publications

Diffusion anomaly and dynamic transitions in the Bell–Lavis water model

Diffusion anomaly and dynamic transitions in the Bell–Lavis water model

Lattice gas with nearest- and next-to-nearest-neighbor exclusion

Structure and anomalous solubility for hard spheres in an associating lattice gas model

Contact Info

Product

Resources

About