Molecular Simulation, Volume 35, Issue 1-2 (2009)

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Molecular Simulation, Volume 35, Issue 1-2 (2009)

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Confined Fluids

Editorials

Editorial
Guest editorial
Suresh K. Bhatia
Pages: 1-2
Published online: 21 Sep 2010
CitationforGuest editorial | Full Text | PDF (39.4 KB)
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Original Articles

Article
Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields
J.-A. Garate, N.J. English & J.M.D. MacElroy
Pages: 3-12
Published online: 21 Sep 2010
AbstractforCarbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields | Full Text | References | PDF (477.1 KB)
  • 258 Views
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Article
Correlated movements of ions and water in a nanochannel
M. Haan, J.F. Gwan & A. Baumgaertner
Pages: 13-23
Published online: 21 Sep 2010
AbstractforCorrelated movements of ions and water in a nanochannel | Full Text | References | PDF (5.7 MB)
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Article
Thermodynamic study of water confinement in hydrophobic zeolites by Monte Carlo simulations
Fabien Cailliez, Anne Boutin, Isabelle Demachy & Alain H. Fuchs
Pages: 24-30
Published online: 21 Sep 2010
AbstractforThermodynamic study of water confinement in hydrophobic zeolites by Monte Carlo simulations | Full Text | References | PDF (291.9 KB)
  • 228 Views
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Article
Temperature-dependent wettability on a titanium dioxide surface
Jae Hyun Park & N.R. Aluru
Pages: 31-37
Published online: 21 Sep 2010
AbstractforTemperature-dependent wettability on a titanium dioxide surface | Full Text | References | PDF (3.1 MB)
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Article
Brownian dynamics simulations of hydrophobic dendrimer adsorption
Balram Suman & Satish Kumar
Pages: 38-49
Published online: 21 Sep 2010
AbstractforBrownian dynamics simulations of hydrophobic dendrimer adsorption | Full Text | References | PDF (237.6 KB)
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Article
A computational study of enantioselective adsorption in a homochiral metal–organic framework
Xiaoying Bao, Linda J. Broadbelt & Randall Q. Snurr
Pages: 50-59
Published online: 21 Sep 2010
AbstractforA computational study of enantioselective adsorption in a homochiral metal–organic framework | Full Text | References | PDF (395.4 KB)
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Article
The importance of charge–quadrupole interactions for H2 adsorption and diffusion in CuBTC
Jinchen Liu, Rees B. Rankin & J. Karl Johnson
Pages: 60-69
Published online: 21 Sep 2010
AbstractforThe importance of charge–quadrupole interactions for H2 adsorption and diffusion in CuBTC | Full Text | References | PDF (221.1 KB)
  • 524 Views
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Article
Molecular simulations of hydrogen and methane permeation through pore mouth modified zeolite membranes
Sang Eun Jee, Alan J.H. McGaughey & David S. Sholl
Pages: 70-78
Published online: 21 Sep 2010
AbstractforMolecular simulations of hydrogen and methane permeation through pore mouth modified zeolite membranes | Full Text | References | PDF (1.2 MB)
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Article
Simulation studies of methane, carbon dioxide, hydrogen and deuterium in ITQ-1 and NaX zeolites
George K. Papadopoulos & Doros N. Theodorou
Pages: 79-89
Published online: 21 Sep 2010
AbstractforSimulation studies of methane, carbon dioxide, hydrogen and deuterium in ITQ-1 and NaX zeolites | Full Text | References | PDF (593.9 KB)
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Article
Adsorption of alkanes, alkenes and their mixtures in single-walled carbon nanotubes and bundles
S. Jakobtorweihen & F.J. Keil
Pages: 90-99
Published online: 21 Sep 2010
AbstractforAdsorption of alkanes, alkenes and their mixtures in single-walled carbon nanotubes and bundles | Full Text | References | PDF (253.2 KB)
  • 201 Views
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Article
Diffusion enhancement in composites of nanotubes and porous structures
Simcha Srebnik & Moshe Sheintuch
Pages: 100-108
Published online: 21 Sep 2010
AbstractforDiffusion enhancement in composites of nanotubes and porous structures | Full Text | References | PDF (942.2 KB)
  • 94 Views
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Article
Fluid transport in nanospaces
David Nicholson & Suresh K. Bhatia
Pages: 109-121
Published online: 21 Sep 2010
AbstractforFluid transport in nanospaces | Full Text | References | PDF (412.6 KB)
  • 280 Views
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Article
Adsorption in micropores (nanopores): a computer appraisal of the Dubinin equations
D.D. Do, D. Nicholson & H.D. Do
Pages: 122-137
Published online: 21 Sep 2010
AbstractforAdsorption in micropores (nanopores): a computer appraisal of the Dubinin equations | Full Text | References | PDF (1.9 MB)
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Article
Sorption strains and their consequences for capillary condensation in nanoconfinement
Gerrit Günther & Martin Schoen
Pages: 138-150
Published online: 21 Sep 2010
AbstractforSorption strains and their consequences for capillary condensation in nanoconfinement | Full Text | References | PDF (253.7 KB)
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Article
Dependence of self-diffusivity on size of impurity atoms in a face-centred cubic solid: existence of an anomalous maximum
Chaitanya Krishna & S. Yashonath
Pages: 151-161
Published online: 21 Sep 2010
AbstractforDependence of self-diffusivity on size of impurity atoms in a face-centred cubic solid: existence of an anomalous maximum | Full Text | References | PDF (715.8 KB)
  • 53 Views
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Article
Simulation of quantum separation of binary hydrogen isotope mixtures in carbon slit pores
Yang Wang & Suresh K. Bhatia
Pages: 162-171
Published online: 21 Sep 2010
AbstractforSimulation of quantum separation of binary hydrogen isotope mixtures in carbon slit pores | Full Text | References | PDF (292.1 KB)
  • 182 Views
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Article
The effect of confinement and wall structure on the kinetics of isomerisation of n-butane
Sarah J. Brookes, Debra J. Searles & Karl P. Travis
Pages: 172-185
Published online: 21 Sep 2010
AbstractforThe effect of confinement and wall structure on the kinetics of isomerisation of n-butane | Full Text | References | PDF (382.6 KB)
  • 105 Views
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Article
Propagation speed of a chemical wave front: effect of confinement
J.S. Hansen & B.D. Todd
Pages: 186-192
Published online: 21 Sep 2010
AbstractforPropagation speed of a chemical wave front: effect of confinement | Full Text | References | PDF (136.4 KB)
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