We describe a grand-canonical Monte Carlo simulation of a hard sphere fluid confined to porous media with arbitrary pore shape. The pore geometry is given by a triangulated surface representation of the solid-void interface. This algorithm is developed to study the dependence of thermodynamic quantities, such as the average density and adsorption, on the shape of the pore. Particular pore shape geometries that are analysed are the labyrinthine domains bounded by so-called triply-periodic minimal surfaces
Partition coefficients and concentration profiles of rigid, non-spherical, axisymmetric particles be...
The properties of fluids near a fluid-solid interface are important in many processes, such as: wett...
We present off-lattice Monte Carlo simulations of site-bond percolation of semi-penetrable spheres o...
AbstractWe describe a grand-canonical Monte Carlo simulation of a hard sphere fluid confined to poro...
"We have investigated a hard sphere fluid adsorbed in acylindrical pore with molecularly rough walls...
The effect of periodic surface roughness on the behavior of confined soft sphere fluids is investiga...
The SPT2 approach is based on the scaled particle theory and developed for the description of thermo...
The partition function of two hard spheres in a hard-wall pore is studied, appealing to a graph repr...
This work is devoted to the exact statistical mechanics treatment of simple inhomogeneous few-body s...
We describe a new local grand canonical Monte Carlo method to treat fluids in pores in chemical equi...
have taken place in parallel with an improvement in our understanding of the molecular structure of ...
We propose a new type of effective densities via the potential distribution theorem. These densities...
The recently proposed scaled particle theory SPT2 approach to the description of three-dimensional h...
In this work, we describe a new Monte Carlo (MC) simulation method to investigate highly coupled flu...
The behavior of a fluid with competing interaction ranges adsorbed in a controlled pore size disorde...
Partition coefficients and concentration profiles of rigid, non-spherical, axisymmetric particles be...
The properties of fluids near a fluid-solid interface are important in many processes, such as: wett...
We present off-lattice Monte Carlo simulations of site-bond percolation of semi-penetrable spheres o...
AbstractWe describe a grand-canonical Monte Carlo simulation of a hard sphere fluid confined to poro...
"We have investigated a hard sphere fluid adsorbed in acylindrical pore with molecularly rough walls...
The effect of periodic surface roughness on the behavior of confined soft sphere fluids is investiga...
The SPT2 approach is based on the scaled particle theory and developed for the description of thermo...
The partition function of two hard spheres in a hard-wall pore is studied, appealing to a graph repr...
This work is devoted to the exact statistical mechanics treatment of simple inhomogeneous few-body s...
We describe a new local grand canonical Monte Carlo method to treat fluids in pores in chemical equi...
have taken place in parallel with an improvement in our understanding of the molecular structure of ...
We propose a new type of effective densities via the potential distribution theorem. These densities...
The recently proposed scaled particle theory SPT2 approach to the description of three-dimensional h...
In this work, we describe a new Monte Carlo (MC) simulation method to investigate highly coupled flu...
The behavior of a fluid with competing interaction ranges adsorbed in a controlled pore size disorde...
Partition coefficients and concentration profiles of rigid, non-spherical, axisymmetric particles be...
The properties of fluids near a fluid-solid interface are important in many processes, such as: wett...
We present off-lattice Monte Carlo simulations of site-bond percolation of semi-penetrable spheres o...