scholarly journals Adsorption of CO2/CH4 Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations

2012 ◽  
Vol 30 (8-9) ◽  
pp. 669-689 ◽  
Author(s):  
Alberto G. Albesa ◽  
Matías Rafti ◽  
José L. Vicente ◽  
Hernán Sánchez ◽  
Pablo Húmpola
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Molecular Model ◽  
Adsorption Of Co2

scholarly journals Monte Carlo simulations of n-butane and n-octane adsorbed onto graphite and a molecular model of activated carbon

Adsorption ◽  
2019 ◽  
Vol 25 (7) ◽  
pp. 1419-1424 ◽  
Author(s):  
María E. Farías Hermosilla ◽  
Néstor A. Pérez Chávez ◽  
Alberto G. Albesa
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Molecular Model

Hyper-parallel tempering Monte Carlo simulations of Ar adsorption in new models of microporous non-graphitizing activated carbon: effect of microporosity

2007 ◽  
Vol 19 (40) ◽  
pp. 406208 ◽  
Author(s):  
Artur P Terzyk ◽  
Sylwester Furmaniak ◽  
Piotr A Gauden ◽  
Peter J F Harris ◽  
Jerzy Włoch ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Parallel Tempering ◽  
New Models

scholarly journals Textural Characteristics and Energetic Parameters of Activated Carbon Monoliths: Experiments and Monte Carlo Simulations

2011 ◽  
Vol 29 (7) ◽  
pp. 637-649
Author(s):  
Diana P. Vargas ◽  
J.C. Alexandre de Oliveira ◽  
Liliana Giraldo ◽  
Juan Carlos Moreno-Piraján ◽  
R.H. López ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Textural Characteristics ◽  
Activated Carbon Monoliths

Monte Carlo simulations of acetonitrile with an anisotropic polarizable molecular model

1997 ◽  
Vol 90 (4) ◽  
pp. 593-597 ◽  
Author(s):  
M. HLOUCHA ◽  
U.K. DEITERS
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Molecular Model

Molecular Modeling of Adsorption in Activated Carbon: Comparison of Monte Carlo Simulations with Experiment

Adsorption ◽  
2005 ◽  
Vol 11 (1) ◽  
pp. 5-13 ◽  
Author(s):  
Jin-Chen Liu ◽  
P. A. Monson
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Molecular Modeling ◽  
Monte Carlo Simulations ◽  
Modeling Of Adsorption

Adsorption of CO2 in metal organic frameworks of different metal centres: Grand Canonical Monte Carlo simulations compared to experiments

Adsorption ◽  
2007 ◽  
Vol 13 (5-6) ◽  
pp. 461-467 ◽  
Author(s):  
Naseem A. Ramsahye ◽  
Guillaume Maurin ◽  
Sandrine Bourrelly ◽  
Philip L. Llewellyn ◽  
Thomas Devic ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Metal Organic Frameworks ◽  
Grand Canonical Monte Carlo ◽  
Metal Organic ◽  
Adsorption Of Co2 ◽  
Grand Canonical

Adsorption of CO2 and N2 in Na–ZSM-5: effects of Na+ and Al content studied by Grand Canonical Monte Carlo simulations and experiments

Adsorption ◽  
2013 ◽  
Vol 20 (1) ◽  
pp. 157-171 ◽  
Author(s):  
David Newsome ◽  
Sofranita Gunawan ◽  
Gino Baron ◽  
Joeri Denayer ◽  
Marc-Olivier Coppens
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Grand Canonical Monte Carlo ◽  
Al Content ◽  
Adsorption Of Co2 ◽  
Grand Canonical

Monte Carlo simulations of simple gases adsorbed onto graphite and molecular models of activated carbon

Adsorption ◽  
2020 ◽  
Vol 26 (8) ◽  
pp. 1301-1322 ◽  
Author(s):  
M. E. Farías Hermosilla ◽  
A. G. Albesa
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Molecular Models

scholarly journals Monte Carlo simulations of crystalline organic semiconductors

2013 ◽  
Vol 10 (1) ◽  
pp. 125-134
Author(s):  
Marko Mladenovic ◽  
Igor Stankovic
Keyword(s):  
Molecular Structure ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Small Molecules ◽  
Organic Semiconductors ◽  
Molecular Model ◽  
Three Dimensional

Molecular model for crystalline organic semiconductors based on small molecules is implemented in three-dimensional Monte Carlo simulations. In this paper results for naphthalene are presented. Molecular structure is considered in two configurations: within a single monocrystal and in vicinity of interface between two monocrystals with different crystalline orientations.

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