Molecular Simulation, Volume 32, Issue 7 (2006)

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Molecular Simulation, Volume 32, Issue 7 (2006)

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ATOMISTIC SIMULATIONS AND THEORY OF NANOPOROUS CARBONS AND NANOSTRUCTURES

Editorials

Editorial
Guest Editorial: Atomistic simulation and theory of nanoporous carbons and nanostructures
Roland J.-M. Pellenq
Pages: 485-486
Published online: 31 Jan 2007
CitationforGuest Editorial: Atomistic simulation and theory of nanoporous carbons and nanostructures | Full Text | PDF (29.9 KB)
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Original Articles

Article
A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle
F. Moulin, S. Picaud, P. N. M. Hoang, L. Pártay & P. Jedlovszky
Pages: 487-493
Published online: 31 Jan 2007
AbstractforA grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle | Full Text | References | PDF (347.9 KB)
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Miscellany

Adsorption equilibria of single gas and gas mixture on homogeneous surfaces: a unified approach based on statistical thermodynamics developments. Part I: single gas adsorption
Y. Belmabkhout, M. Frere & G. De Weireld
Pages: 495-502
Published online: 31 Jan 2007
AbstractforAdsorption equilibria of single gas and gas mixture on homogeneous surfaces: a unified approach based on statistical thermodynamics developments. Part I: single gas adsorption | Full Text | References | PDF (121.5 KB)
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Original Articles

Article
Adsorption equilibria of single gas and gas mixture on homogeneous surfaces: a unified approach based on statistical thermodynamics developments. Part II: extension to gas mixture adsorption
Y. Belmabkhout, M. Frere & G. De Weireld
Pages: 503-511
Published online: 31 Jan 2007
AbstractforAdsorption equilibria of single gas and gas mixture on homogeneous surfaces: a unified approach based on statistical thermodynamics developments. Part II: extension to gas mixture adsorption | Full Text | References | PDF (252.7 KB)
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Article
Analysis of gas adsorption in Kureha active carbon based on the slit–pore model and Monte-Carlo simulations
M.B. Sweatman, N. Quirke, W. Zhu & F. Kapteijn
Pages: 513-522
Published online: 31 Jan 2007
AbstractforAnalysis of gas adsorption in Kureha active carbon based on the slit–pore model and Monte-Carlo simulations | Full Text | References | PDF (535.2 KB)
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Article
Simulation study of ammonia adsorption on graphitized carbon black
G. R. Birkett & D. D. Do
Pages: 523-537
Published online: 31 Jan 2007
AbstractforSimulation study of ammonia adsorption on graphitized carbon black | Full Text | References | PDF (841.6 KB)
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Article
Effect of pore constriction on adsorption behaviour in nanoporous carbon slit pore: a computer simulation
A. Wongkoblap & D. D. Do
Pages: 539-549
Published online: 31 Jan 2007
AbstractforEffect of pore constriction on adsorption behaviour in nanoporous carbon slit pore: a computer simulation | Full Text | References | PDF (1.5 MB)
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Article
Testing the feasibility of using the density functional theory route for pore size distribution calculations of ordered microporous carbons
T. Roussel, J. Jagiello, R. J.-M. Pellenq, M. Thommes & C. Bichara
Pages: 551-555
Published online: 31 Jan 2007
AbstractforTesting the feasibility of using the density functional theory route for pore size distribution calculations of ordered microporous carbons | Full Text | References | PDF (265.6 KB)
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Article
Adsorption and structure of argon in activated porous carbons
Benoit Coasne, Keith E. Gubbins, Francisco R. Hung & Surendra K. Jain
Pages: 557-566
Published online: 31 Jan 2007
AbstractforAdsorption and structure of argon in activated porous carbons | Full Text | References | PDF (584.9 KB)
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Article
Structure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies
T. X. Nguyen, S. K. Bhatia, S. K. Jain & K. E. Gubbins
Pages: 567-577
Published online: 31 Jan 2007
AbstractforStructure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies | Full Text | References | PDF (486.2 KB)
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Article
Virtual porous carbons: what they are and what they can be used for
M. J. Biggs & A. Buts
Pages: 579-593
Published online: 31 Jan 2007
AbstractforVirtual porous carbons: what they are and what they can be used for | Full Text | References | PDF (1.1 MB)
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