Search Results - "Monson, P A"

Contact Angles, Pore Condensation, and Hysteresis: Insights from a Simple Molecular Model by Monson, P. A

“…We discuss the thermodynamics of adsorption of fluids in pores when the solid−fluid interactions lead to partial wetting of the pore walls, a situation…”
Get full text

Adsorption in Porous Materials at High Pressure:  Theory and Experiment by Myers, A. L, Monson, P. A

“…We consider the thermodynamics of adsorption of gases in porous solids from both the perspective of absolute properties which appear naturally in theoretical…”
Get full text

Nonequilibrium Steady States in Fluid Transport through Mesopores: Dynamic Mean Field Theory and Nonequilibrium Molecular Dynamics by Rathi, A, Kikkinides, E. S, Ford, D. M, Monson, P. A

“…We present a dynamic mean field theory (DMFT) and nonequilibrium dual control volume grand canonical molecular dynamics (GCMD) simulation study of steady-state…”
Get full text

Modeling of Adsorption and Desorption in Pores of Simple Geometry Using Molecular Dynamics by Sarkisov, L, Monson, P. A

“…We present results from molecular dynamics simulations of adsorption and desorption by diffusive mass transfer into model pores of well-defined geometry. The…”
Get full text

Mean-Field Theory of Liquid Droplets on Roughened Solid Surfaces:  Application to Superhydrophobicity by Porcheron, F, Monson, P. A

“…We present calculations of the density distributions and contact angles of liquid droplets on roughened solid surfaces for a lattice gas model solved in a…”
Get full text

Adsorption/Desorption Hysteresis in Inkbottle Pores:  A Density Functional Theory and Monte Carlo Simulation Study by Libby, B, Monson, P. A

“…The mechanisms of adsorption and desorption in inkbottle-shaped pores are considered for lattice models using grand canonical mean field density functional…”
Get full text

Dynamic Mean Field Theory for Lattice Gas Models of Fluid Mixtures Confined in Mesoporous Materials by Edison, J. R, Monson, P. A

“…We present the extension of dynamic mean field theory (DMFT) for fluids in porous materials (Monson, P. A. J. Chem. Phys. 2008, 128, 084701) to the case of…”
Get full text

Calculation of Free Energies and Chemical Potentials for Gas Hydrates Using Monte Carlo Simulations by Wierzchowski, S. J, Monson, P. A

“…We describe a method for calculating free energies and chemical potentials for molecular models of gas hydrate systems using Monte Carlo simulations. The…”
Get full text

Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory by Monson, P.A.

“…[Display omitted] ► A tutorial review on classical density functional theory (DFT). ► Applications to adsorption/desorption hysteresis in mesoporous materials…”
Get full text

Does Water Condense in Carbon Pores? by Liu, J.-C, Monson, P. A

“…Using grand canonical Monte Carlo (GCMC) simulations of molecular models, we investigate the nature of water adsorption and desorption in slit pores with…”
Get full text

Modeling Spontaneous Formation of Precursor Nanoparticles in Clear-Solution Zeolite Synthesis by Jorge, M, Auerbach, Scott M, Monson, P. A

“…We present a lattice model describing the formation of silica nanoparticles in the early stages of the clear-solution templated synthesis of silicalite-1…”
Get full text

Monte Carlo Simulation Study of Water Adsorption in Activated Carbon by Liu, J.-C, Monson, P. A

“…We present a Monte Carlo simulation study of adsorption and desorption for two molecular models of water in activated carbon, focusing on the temperature range…”
Get full text

Modeling Mercury Porosimetry Using Statistical Mechanics by Porcheron, F, Monson, P. A, Thommes, M

“…We consider mercury porosimetry from the perspective of the statistical thermodynamics of penetration of a nonwetting liquid into a porous material under an…”
Get full text

Mercury Porosimetry in Mesoporous Glasses:  A Comparison of Experiments with Results from a Molecular Model by Porcheron, F, Thommes, M, Ahmad, R, Monson, P. A

“…We present results from experiments and molecular modeling of mercury porosimetry into mesoporous Vycor and controlled pore glass (CPG) solid materials. The…”
Get full text

Solid−Fluid and Solid−Solid Equilibrium in Hard Sphere United Atom Models of n-Alkanes: Rotator Phase Stability by Cao, M, Monson, P. A

“…We present a study of the phase behavior for models of n-alkanes with chain lengths up to C21 based on hard sphere united atom models of methyl and methylene…”
Get full text

New insights into zeolite formation from molecular modeling by Auerbach, Scott M., Ford, Matthew H., Monson, P.A.

“…We review recent molecular modeling efforts to shed light on the mechanisms of zeolite formation. We focus on studies that model the early stages of silica…”
Get full text

Dynamic Aspects of Mercury Porosimetry:  A Lattice Model Study by Porcheron, F, Monson, P. A

“…Grand canonical Monte Carlo simulations using both Glauber dynamics and Kawasaki dynamics have been carried out for a recently developed lattice model of a…”
Get full text

Hysteresis in Monte Carlo and Molecular Dynamics Simulations of Adsorption in Porous Materials by Sarkisov, L, Monson, P. A

“…We present a molecular dynamics simulation method for adsorption/desorption in a sample of a model porous material from a fluid reservoir at a fixed chemical…”
Get full text

Capillary condensation in disordered porous materials: hysteresis versus equilibrium behavior by Kierlik, E, Monson, P A, Rosinberg, M L, Sarkisov, L, Tarjus, G

“…We study the interplay between hysteresis and equilibrium behavior in capillary condensation of fluids in mesoporous disordered materials via a mean-field…”
Get full text

Sorption Isotherm Reconstruction and Extraction of Pore Size Distributions for Serially Connected Pore Model (SCPM) Structures Employing Algorithmic and Statistical Models by Kikkinides, E. S, Monson, P. A, Valiullin, R

“…Valiullin et al. [J. Phys. Chem. C 2019, 123, 16239] have developed a statistical theory describing adsorption/desorption hysteresis in one-dimensional pore…”
Get full text