91 citations · 752 across the 43 of their papers we have counts for
15 papers · 1 filter
Quasi-one dimensional fluids that exhibit higher dimensional behavior
Silvina M. Gatica, M. Mercedes Calbi, George Stan +2
Fluids confined within narrow channels exhibit a variety of phases and phase transitions associated with their reduced dimensionality. In this review paper, we illustrate the cross…
Structure and heat capacity of Ne and Xe adsorbed on a bundle of carbon nanotubes
Daniel E. Shai, Nathan M. Urban, Milton W. Cole
The structural and thermal properties of Ne and Xe gases adsorbed on the outer surface of a large nanotube bundle have been evaluated with computer simulation. The potential energy…
Properties of low density quantum fluids within nanopores
Nathan M. Urban, Milton W. Cole, E. Susana Hernandez
The behavior of quantum fluids (4He and H2) within nanopores is explored in various regimes, using several different methods. A focus is the evolution of each fluid's behavior as p…
Quantum fluids in nanopores
Nathan M. Urban, Milton W. Cole
We describe calculations of the properties of quantum fluids inside nanotubes of various sizes. Very small radius () pores confine the gases to a line, so that a one-dimensional…
Lattice-gas Monte Carlo study of adsorption in pores
Raluca A. Trasca, M. Mercedes Calbi, Milton W. Cole +1
A lattice gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of site: (a line of) ``axial'' sites and surr…
Systematic model behavior of adsorption on flat surfaces
Raluca A. Trasca, Milton W. Cole, Renee D. Diehl
A low density film on a flat surface is described by an expansion involving the first four virial coefficients. The first coefficient (alone) yields the Henry's law regime, while t…
Lattice model of gas condensation within nanopores
Raluca A. Trasca, M. Mercedes Calbi, Milton W. Cole
We explore the thermodynamic behavior of gases adsorbed within a nanopore. The theoretical description employs a simple lattice gas model, with two species of site, expected to des…
Quasi-one and two-dimensional transitions of gases adsorbed on nanotube bundles
S. M. Gatica, M. J. Bojan, G. Stan +1
Grand canonical Monte Carlo simulations have been performed to determine the adsorption behavior of Ar and Kr atoms on the exterior surface of a rope (bundle) consisting of many ca…
Axial phase of quantum fluids in nanotubes
S. M. Gatica, G. Stan, M. M. Calbi +2
We explore the equations of state and other properties of various quantum fluids (3He, 4He, their mixtures, and H_2) confined within individual carbon nanotubes. Above a threshold…
Computer simulation studies of wetting on heterogeneous surfaces
S. Curtarolo, M. J. Bojan, G. Stan +2
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved…
Helium mixtures in nanotube bundles
George Stan, Jacob M. Hartman, Vincent H. Crespi +2
An analogue to Raoult's law is determined for the case of a 3He-4He mixture adsorbed in the interstitial channels of a bundle of carbon nanotubes. Unlike the case of He mixtures in…
Atoms in nanotubes: small dimensions and variable dimensionality
George Stan, Silvina M. Gatica, Massimo Boninsegni +2
Newly discovered carbon nanotubes provide an environment in which small atoms move relatively freely. An assembly of such atoms provides a realization of a quasi-one dimensional sy…
Computer Simulations of the Wetting Properties of Neon on Heterogeneous Surfaces
S. Curtarolo, M. W. Cole, M. J. Bojan +1
We use the grand canonical Monte Carlo method to study the nature of wetting transitions on a variety of heterogeneous surfaces. The model system we explore, Ne adsorption on Mg, i…
Interstitial He and Ne in Nanotube Bundles
G. Stan, V. H. Crespi, M. W. Cole +1
We explore the properties of atoms confined to the interstitial regions within a carbon nanotube bundle. We find that He and Ne atoms are of ideal size for physisorption interactio…
Wetting transitions of Ne
M. J. Bojan, G. Stan, S. Curtarolo +2
We report studies of the wetting behavior of Ne on very weakly attractive surfaces, carried out with the Grand Canonical Monte Carlo method. The Ne-Ne interaction was taken to be o…