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We consider the thermodynamics of adsorption of gases in porous solids from both the perspective of absolute properties which appear naturally in theoretical studies and that of excess propertiesâ€¦ (More)

- Sergei Naumov, Rustem Valiullin, Peter A Monson, JÃ¶rg KÃ¤rger
- Langmuir : the ACS journal of surfaces andâ€¦
- 2008

Confinement of fluids in porous materials is widely exploited in a variety of technologies, including chemical conversion by heterogeneous catalysis and adsorption separations. Important fundamentalâ€¦ (More)

- T Gruhn, Peter A Monson
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2001

We describe an implementation of the Andersen algorithm for simulating the molecular dynamics in the isobaric isoenthalpic (NPH) ensemble for the hard sphere potential. The work is based on theâ€¦ (More)

- J-C Liu, Peter A Monson
- Langmuir : the ACS journal of surfaces andâ€¦
- 2005

Using grand canonical Monte Carlo (GCMC) simulations of molecular models, we investigate the nature of water adsorption and desorption in slit pores with graphitelike surfaces. Special emphasis isâ€¦ (More)

- Sergej Naumov, Alexey R. Khokhlov, Rustem Valiullin, JÃ¶rg KÃ¤rger, Peter A Monson
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2008

The ability to exert a significant degree of pore structure control in porous silicon materials has made them attractive materials for the experimental investigation of the relationship between poreâ€¦ (More)

- Sergej Naumov, Rustem Valiullin, JÃ¶rg KÃ¤rger, Peter A Monson
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2009

Using a lattice-gas model in mean-field theory, we discuss the problem of how adsorption and desorption of fluids in independent cylinderlike pores is influenced by variations in the pore diameterâ€¦ (More)

- Lev Sarkisov, Peter A Monson
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2002

We present mean-field density functional theory calculations and Monte Carlo simulations for a lattice model of a fluid confined in a disordered porous material. The model is obtained by a coarseâ€¦ (More)

- Fabien Porcheron, Peter A Monson, Matthias Thommes
- Langmuir : the ACS journal of surfaces andâ€¦
- 2004

We consider mercury porosimetry from the perspective of the statistical thermodynamics of penetration of a nonwetting liquid into a porous material under an external pressure. We apply densityâ€¦ (More)

- Fabien Porcheron, Matthias Thommes, Rashid Ahmad, Peter A Monson
- Langmuir : the ACS journal of surfaces andâ€¦
- 2007

We present results from experiments and molecular modeling of mercury porosimetry into mesoporous Vycor and controlled pore glass (CPG) solid materials. The experimental intrusion/extrusion curvesâ€¦ (More)

- Matthew H. Ford, Scott M. Auerbach, Peter A Monson
- The Journal of chemical physics
- 2004

We present a simple and computationally efficient classical atomistic model of silica in which the silicon and oxygen are simulated as hard spheres with four and two association sites, respectively.â€¦ (More)