Water adsorption in disordered mesoporous silica (Vycor) at 300K and 650K: A Grand Canonical Monte Carlo simulation study of hysteresis

The Journal of Chemical Physics ◽

10.1063/1.1854129 ◽

2005 ◽

Vol 122 (9) ◽

pp. 094704 ◽

Author(s):

Joël Puibasset ◽

Roland J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Mesoporous Silica ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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A grand canonical Monte Carlo simulation study of water adsorption on Vycor-like hydrophilic mesoporous silica at different temperatures

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/16/45/003 ◽

2004 ◽

Vol 16 (45) ◽

pp. S5329-S5343 ◽

Author(s):

Joël Puibasset ◽

Roland J-M Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Mesoporous Silica ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Different Temperatures ◽

Grand Canonical

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A grand canonical Monte Carlo simulation study of water adsorption in a Vycor-like disordered mesoporous material at 300K.

Characterization of Porous Solids VI, Proceedings of the 6th International Symposium on the Characterization of Porous Solids (COPS-VI) - Studies in Surface Science and Catalysis ◽

10.1016/s0167-2991(02)80157-4 ◽

2002 ◽

pp. 371-378 ◽

Author(s):

J. Puibasset ◽

R.J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Mesoporous Material ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K

The Journal of Physical Chemistry B ◽

10.1021/jp7097153 ◽

2008 ◽

Vol 112 (20) ◽

pp. 6390-6397 ◽

Author(s):

Joël Puibasset ◽

Roland J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Water adsorption on hydrophilic mesoporous and plane silica substrates: A grand canonical Monte Carlo simulation study

The Journal of Chemical Physics ◽

10.1063/1.1556075 ◽

2003 ◽

Vol 118 (12) ◽

pp. 5613-5622 ◽

Author(s):

Joël Puibasset ◽

Roland J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical ◽

Silica Substrates

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A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle

Molecular Simulation ◽

10.1080/08927020600622048 ◽

2006 ◽

Vol 32 (7) ◽

pp. 487-493 ◽

Author(s):

F. Moulin ◽

S. Picaud ◽

P. N. M. Hoang ◽

L. Pártay ◽

P. Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Soot Particle ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Water adsorption on hydrophilic and hydrophobic self-assembled monolayers as proxies for atmospheric surfaces. A grand canonical Monte Carlo simulation study

Physical Chemistry Chemical Physics ◽

10.1039/b923382b ◽

2010 ◽

Vol 12 (18) ◽

pp. 4604 ◽

Author(s):

Milán Szőri ◽

Pál Jedlovszky ◽

Martina Roeselová

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Self Assembled Monolayers ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Assembled Monolayers ◽

Self Assembled ◽

Grand Canonical

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Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C7–CH3and C7–COOH Residues. A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp201224h ◽

2011 ◽

Vol 115 (39) ◽

pp. 19165-19177 ◽

Author(s):

Milán Szöri ◽

Martina Roeselová ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Self Assembled Monolayers ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Surface Hydrophilicity ◽

Assembled Monolayers ◽

Grand Canonical

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Adsorption of Chlorinated Methane Derivatives at the Ice Surface: A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b11710 ◽

2017 ◽

Vol 121 (14) ◽

pp. 7782-7793 ◽

Author(s):

Ildikó Sumi ◽

Sylvain Picaud ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Ice Surface ◽

Grand Canonical ◽

Chlorinated Methane

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Adsorption of Propylene Oxide on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c03722 ◽

2020 ◽

Vol 124 (30) ◽

pp. 16402-16414

Author(s):

Bálint Kiss ◽

Milán Szőri ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Propylene Oxide ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Amorphous Ice ◽

Grand Canonical

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Hydrogen storage on silicon, carbon, and silicon carbide nanotubes: A combined quantum mechanics and grand canonical Monte Carlo simulation study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2013.11.037 ◽

2014 ◽

Vol 39 (4) ◽

pp. 1719-1731 ◽

Author(s):

S.J. Mahdizadeh ◽

E.K. Goharshadi

Keyword(s):

Monte Carlo Simulation ◽

Silicon Carbide ◽

Monte Carlo ◽

Quantum Mechanics ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Silicon Carbide Nanotubes ◽

Silicon Carbon ◽

Grand Canonical

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