Correlation of Temperature Dependence of Gas Permeability with Pore Size in Molecular Sieving Membranes:  A Grand Canonical Ensemble Molecular Dynamics Study

Molecular Sieving ◽

A new algorithm for molecular dynamics simulations in the grand canonical ensemble

Molecular Physics ◽

10.1080/00268979400100334 ◽

1994 ◽

Vol 82 (3) ◽

pp. 439-453 ◽

Cited By ~ 14

Author(s):

Lourdes F. Vega ◽

Katherine S. Shing ◽

Luis F. Rull

Keyword(s):

Molecular Dynamics ◽

Canonical Ensemble ◽

Dynamics Simulations ◽

Water permeability of poly(ethylene terephthalate): A grand canonical ensemble molecular dynamics simulation study

10.1063/1.3274805 ◽

2009 ◽

Vol 131 (23) ◽

pp. 234904 ◽

Cited By ~ 18

Author(s):

Hossein Eslami ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Permeability ◽

Ethylene Terephthalate ◽

Canonical Ensemble ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene ◽

Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

10.1063/1.475012 ◽

1997 ◽

Vol 107 (20) ◽

pp. 8594-8610 ◽

Cited By ~ 52

Author(s):

Gillian C. Lynch ◽

B. Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

System Dynamics ◽

Canonical Ensemble ◽

Extended System ◽

Dynamics Simulations ◽

Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling

10.1063/1.480245 ◽

1999 ◽

Vol 111 (19) ◽

pp. 9025-9033 ◽

Cited By ~ 96

Author(s):

Robert M. Shroll ◽

David E. Smith

Keyword(s):

Molecular Dynamics ◽

Clay Mineral ◽

Canonical Ensemble ◽

Dynamics Simulations ◽

Alternative Hamiltonian for molecular dynamics simulations in the grand canonical ensemble

10.1063/1.469159 ◽

1995 ◽

Vol 102 (2) ◽

pp. 925-931 ◽

Cited By ~ 42

Author(s):

Chaomei Lo ◽

Bruce Palmer

Keyword(s):

Molecular Dynamics ◽

Canonical Ensemble ◽

Dynamics Simulations ◽

Comment on “Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling” [J. Chem. Phys. 110, 8295 (1999)]

10.1063/1.480630 ◽

2000 ◽

Vol 112 (2) ◽

pp. 1059-1060 ◽

Cited By ~ 4

Author(s):

Mihaly Mezei

Keyword(s):

Molecular Dynamics ◽

Canonical Ensemble ◽

Chem Phys ◽

Umbrella Sampling ◽

Bias Potential ◽

Dynamics Simulations ◽

Molecular dynamics and Monte Carlo simulations in the grand canonical ensemble: Local versus global control

10.1063/1.464945 ◽

1993 ◽

Vol 98 (6) ◽

pp. 4897-4908 ◽

Cited By ~ 63

Author(s):

Aphrodite Papadopoulou ◽

Ezra D. Becker ◽

Mark Lupkowski ◽

Frank van Swol

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Global Control ◽

The Grand-Canonical Ensemble Description of a Diluted Ising Ferromagnet. Critical Temperature Dependence on the Value of the Chemical Potential

physica status solidi (b) ◽

10.1002/pssb.2221020237 ◽

1980 ◽

Vol 102 (2) ◽

pp. K95-K100 ◽

Cited By ~ 1

Author(s):

K. Sokalski ◽

W. Wójcik

Keyword(s):

Critical Temperature ◽

Temperature Dependence ◽

Chemical Potential ◽

Canonical Ensemble ◽

Ising Ferromagnet ◽

Grand canonical ensemble molecular dynamics simulation of water solubility in polyamide-6,6

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00910e ◽

2011 ◽

Vol 13 (2) ◽

pp. 669-673 ◽

Cited By ~ 9

Author(s):

Hossein Eslami ◽

Nargess Mehdipour

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Solubility ◽

Canonical Ensemble ◽

Dynamics Simulation ◽

Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling

10.1063/1.478791 ◽

1999 ◽

Vol 110 (17) ◽

pp. 8295-8302 ◽

Cited By ~ 23

Author(s):

Robert M. Shroll ◽

David E. Smith

Keyword(s):

Molecular Dynamics ◽

Canonical Ensemble ◽

Umbrella Sampling ◽

Bias Potential ◽

Dynamics Simulations ◽