Phase separation in confined systems

Gelb, Lev D.; Gubbins, Keith E.; Radhakrishnan, Ravi; Śliwińska-Bartkowiak, Małgorzata

doi:10.1088/0034-4885/62/12/201

Cited by 1,525 publications

(1,334 citation statements)

References 376 publications

Supporting

Mentioning

1,265

Contrasting

Unclassified

Order By: Relevance

“…The final configuration serves as initial configuration for the next order parameter value. Grand potential curves are estimated from the order parameter histogram, using equation (7). As usual, a matching procedure between different order parameter windows is used to obtain the free energy curve.…”

Section: Nucleation Pathmentioning

confidence: 99%

“…A specific feature of such mesoporous materials is the strong adsorption of the wetting phase occuring at a chemical potential (or pressure) lower than the bulk saturation value. This behavior is usually known as capillary condensation, and corresponds fundamentally to the shifted liquid-gas phase transition induced by confinement [7]. In the case of hydrophobic pores, the wetting phase is the vapor while the non wetting phase is the liquid.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Nucleation in Hydrophobic Cylindrical Pores: A Lattice Model

2005

View full text Add to dashboard Cite

We consider the nucleation process associated with capillary condensation of a vapor in a hydrophobic cylindrical pore (capillary evaporation). The liquid-vapor transition is described within the framework of a simple lattice model. The phase properties are characterized both at the mean-field level and using Monte-Carlo simulations. The nucleation process for the liquid to vapor transition is then specifically considered. Using umbrella sampling techniques, we show that nucleation occurs through the condensation of an asymmetric vapor bubble at the pore surface. Even for highly confined systems, good agreement is found with macroscopic considerations based on classical nucleation theory. The results are discussed in the context of recent experimental work on the extrusion of water in hydrophobic pores.

show abstract

Section: Nucleation Pathmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Nucleation in Hydrophobic Cylindrical Pores: A Lattice Model

2005

View full text Add to dashboard Cite

show abstract

“…The freezing points of the fluid confined in porous solids are usually lowered (Gelb et al 1999). However, recently, it was clarified that the solidification of pore fluid is more complex than the common knowledge and the breakdown of micropores according to the Gibbs-Thomson equation.…”

Section: Introductionmentioning

confidence: 99%

Freezing of Lennard-Jones fluid in cylindrical nanopores under tensile conditions

Kanda

Miyahara

2007

Adsorption

View full text Add to dashboard Cite

We have shown the Lennard-Jones (LJ) phase diagram for a slit-shaped nanopore by molecular simulations and thermodynamically predicted the results with no adjustable parameter. With this success, LJ phase diagrams are predictable. In this study, the freezing of an LJ CH 4 capillary condensate under a tensile condition in a nonstructural carbon nanopore with a cylindrical geometry was examined using molecular dynamics (MD) simulation. We employ a unit cell in contact with a bulk vapor phase, which is useful for the determination of the bulk vapor pressure in equilibrium with the molecules in a pore. The MD simulation results show liquid-solid (amorphous) phase transitions with a variation in the bulk vapor pressure. The frozen particles are arranged in concentric circular regions along the wall similar to those reported by Maddox and Gubbins. The freezing points are determined from the variations in density, enthalpy, arrangement, and structural functions. The obtained liquid-solid coexistence points are found to exhibit a significant dependence of the freezing point on the equilibrium bulk vapor pressure, forming an extraordinarily skewed curve on the p-T diagram, in contrast to the bulk phase coexistence that is represented by an almost vertical line. The origin of the significant dependence is considered to be the Laplace effect on the capillary condensate similar to the case with a slit-shaped pore. A simple model, which the authors H. Kanda ( ) Energy Engineering

show abstract

“…As a related problem, much attention has also been paid to the phase behavior of fluids between closely separated walls [34][35][36] , where narrow regions may be filled with the phase favored by the walls or may hold some fraction of the disfavored phase. As a result, there can be a firstorder phase transition between these two states, called capillary condensation, when the fluid in the reservoir is in the disfavored phase.…”

Section: Introductionmentioning

confidence: 99%

“…As a result, there can be a firstorder phase transition between these two states, called capillary condensation, when the fluid in the reservoir is in the disfavored phase. For fluids between parallel plates, there appears a first-order capillary condensation line outside (bulk) CX in the plane of the temperature T and the reservoir chemical potential µ ∞ (which corresponds to a magnetic field for magnetic systems) 8,[34][35][36][37][38] . Analogously, between large particles (or between a large particle and a wall), a bridging domain of the favored phase can appear, when they are surrounded by the disfavored phase 11,[39][40][41][42][43][44][45] .…”

Section: Introductionmentioning

confidence: 99%

Hydrodynamics in bridging and aggregation of two colloidal particles in a near-critical binary mixture

2015

View full text Add to dashboard Cite

We investigate bridging and aggregation of two colloidal particles in a near-critical binary mixture when the fluid far from the particles is outside the coexistence (CX) curve and is rich in the component disfavored by the colloid surfaces. In such situations, the adsorption-induced interaction is enhanced, leading to bridging and aggregation of the particles. We realize bridging firstly by changing the temperature with a fixed interparticle separation and secondly by letting the two particles aggregate. The interparticle attractive force dramatically increases upon bridging. The dynamics is governed by hydrodynamic flow around the colloid surfaces. In aggregation, the adsorption layers move with the particles and squeezing occurs at narrow separation. These results suggest relevance of bridging in the reversible colloid aggregation observed so far. We use the local functional theory [J. Chem. Phys. 136, 114704 (2012)] to take into account the renormalization effect and the simulation method [Phys. Rev. Lett. 85, 1338] to calculate the hydrodynamic flow around the colloidal particles.

show abstract

Phase separation in confined systems

Cited by 1,525 publications

References 376 publications

Nucleation in Hydrophobic Cylindrical Pores: A Lattice Model

Nucleation in Hydrophobic Cylindrical Pores: A Lattice Model

Freezing of Lennard-Jones fluid in cylindrical nanopores under tensile conditions

Hydrodynamics in bridging and aggregation of two colloidal particles in a near-critical binary mixture

Contact Info

Product

Resources

About