The modeling of fluid equilibrium in confined spaces and, in particular, the micropores of carbon, is a problem of long standing importance. Most of the early models, such as those based on the Langmuir, BET, Kelvin and Dubinin theories [1-3], neglect th
Molecular modelling has become a useful and widely applied tool to investigate separation and diffus...
It is known that thermodynamic properties of a system change upon confinement. To know how, is impor...
The hysteresis effects of fluids confined in porous media are studied by means of a new microscopic ...
We present model isotherms predicted by nonlocal density functional theory for adsorption of simple ...
A modification of the Dubinin theory of volume filling is proposed here by combining it with a Langm...
We examine the transport of methane in microporous carbon by performing equilibrium and nonequilibri...
We present simulation results for the packing for single center Lennard Jones models of adsorbed flu...
Despite the widespread use of porous catalysts and catalyst supports in carrying out heterogeneous r...
Using a one-site spherical CH4 molecular model, we predict permeabilities in carbon slit pores of wi...
We present molecular dynamics simulations in the micro-canonical ensemble of a Lennard-Jones model o...
We present a review of our recent studies oil the accessibility of simple gases (Ar, N-2, CH4 and CO...
A one-site spherical CO(2) model and five three-site linear CO(2) models are compared for adsorption...
The influence of the model of an adsorbed phase on the pore-filling pressure and the pore-size distr...
The reliable characterization of nanoporous carbons is critical to the design and optimization of th...
We present a review of our recent studies on the accessibility of simple gases (Ar, N2, CH4 and CO2)...
Molecular modelling has become a useful and widely applied tool to investigate separation and diffus...
It is known that thermodynamic properties of a system change upon confinement. To know how, is impor...
The hysteresis effects of fluids confined in porous media are studied by means of a new microscopic ...
We present model isotherms predicted by nonlocal density functional theory for adsorption of simple ...
A modification of the Dubinin theory of volume filling is proposed here by combining it with a Langm...
We examine the transport of methane in microporous carbon by performing equilibrium and nonequilibri...
We present simulation results for the packing for single center Lennard Jones models of adsorbed flu...
Despite the widespread use of porous catalysts and catalyst supports in carrying out heterogeneous r...
Using a one-site spherical CH4 molecular model, we predict permeabilities in carbon slit pores of wi...
We present molecular dynamics simulations in the micro-canonical ensemble of a Lennard-Jones model o...
We present a review of our recent studies oil the accessibility of simple gases (Ar, N-2, CH4 and CO...
A one-site spherical CO(2) model and five three-site linear CO(2) models are compared for adsorption...
The influence of the model of an adsorbed phase on the pore-filling pressure and the pore-size distr...
The reliable characterization of nanoporous carbons is critical to the design and optimization of th...
We present a review of our recent studies on the accessibility of simple gases (Ar, N2, CH4 and CO2)...
Molecular modelling has become a useful and widely applied tool to investigate separation and diffus...
It is known that thermodynamic properties of a system change upon confinement. To know how, is impor...
The hysteresis effects of fluids confined in porous media are studied by means of a new microscopic ...