Swelling of a model network: A Gibbs-ensemble molecular dynamics study

E. M. Aydt; R. Hentschke

doi:10.1063/1.481114

Swelling of a model network: A Gibbs-ensemble molecular dynamics study

The Journal of Chemical Physics ◽

10.1063/1.481114 ◽

2000 ◽

Vol 112 (12) ◽

pp. 5480-5487 ◽

Cited By ~ 25

Author(s):

E. M. Aydt ◽

R. Hentschke

Keyword(s):

Molecular Dynamics ◽

Gibbs Ensemble ◽

Model Network

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Gibbs Ensemble Molecular Dynamics

Simulation Methods for Polymers ◽

10.1201/9780203021255.ch10 ◽

2004 ◽

Author(s):

Reinhard Hentschke ◽

Michael Kotelyanskii

Keyword(s):

Molecular Dynamics ◽

Gibbs Ensemble

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Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. I. Algorithm

The Journal of Chemical Physics ◽

10.1063/1.2720832 ◽

2007 ◽

Vol 126 (16) ◽

pp. 164104 ◽

Cited By ~ 7

Author(s):

Christoph Bratschi ◽

Hanspeter Huber

Keyword(s):

Molecular Dynamics ◽

Ensemble Method ◽

Gibbs Ensemble

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Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. II. Molecular liquid-vapor results for carbon dioxide

The Journal of Chemical Physics ◽

10.1063/1.2720835 ◽

2007 ◽

Vol 126 (16) ◽

pp. 164105 ◽

Cited By ~ 11

Author(s):

Christoph Bratschi ◽

Hanspeter Huber ◽

Debra J. Searles

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Ensemble Method ◽

Gibbs Ensemble ◽

Molecular Liquid ◽

Liquid Vapor

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Gibbs Ensemble Molecular Dynamics

ChemInform ◽

10.1002/chin.200516288 ◽

2005 ◽

Vol 36 (16) ◽

Author(s):

Michael Kotelyanskii ◽

Reinhard Hentschke

Keyword(s):

Molecular Dynamics ◽

Gibbs Ensemble

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Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations

Molecular Simulation ◽

10.1080/08927020307095 ◽

2003 ◽

Vol 29 (6-7) ◽

pp. 1-1 ◽

Cited By ~ 1

Author(s):

Josep C. Pàmies ◽

Clare M

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

Coexistence Densities

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Importance of ZIF-90 Lattice Flexibility on Diffusion, Permeation, and Lattice Structure for an adsorbed H2/CH4 Gas Mixture: A Re-Examination by Gibbs Ensemble Monte Carlo and Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b02602 ◽

2017 ◽

Vol 121 (19) ◽

pp. 10455-10462 ◽

Cited By ~ 18

Author(s):

T. Chokbunpiam ◽

S. Fritzsche ◽

J. Caro ◽

C. Chmelik ◽

W. Janke ◽

...

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Lattice Structure ◽

Gibbs Ensemble ◽

Gas Mixture ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

Dynamics Simulations

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Gibbs-Ensemble Molecular Dynamics: A New Method for Simulations Involving Particle Exchange

Journal of Molecular Modeling ◽

10.1007/s0089460020319 ◽

1996 ◽

Vol 2 (9) ◽

pp. 319-326 ◽

Cited By ~ 9

Author(s):

Reinhard Hentschke ◽

Tim Bast ◽

Ewald Aydt ◽

Michael Kotelyanskii

Keyword(s):

Molecular Dynamics ◽

New Method ◽

Gibbs Ensemble ◽

Particle Exchange

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Methane in zeolitic imidazolate framework ZIF-90: Adsorption and diffusion by molecular dynamics and Gibbs ensemble Monte Carlo

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2016.06.029 ◽

2016 ◽

Vol 235 ◽

pp. 69-77 ◽

Cited By ~ 19

Author(s):

Vo Thuy Phuong ◽

T. Chokbunpiam ◽

S. Fritzsche ◽

T. Remsungnen ◽

T. Rungrotmongkol ◽

...

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Gibbs Ensemble ◽

Zeolitic Imidazolate Framework ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

And Diffusion

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Gibbs-ensemble molecular dynamics: Liquid-gas equilibrium in a Lennard-Jones system

Physical Review E ◽

10.1103/physreve.51.5116 ◽

1995 ◽

Vol 51 (5) ◽

pp. 5116-5119 ◽

Cited By ~ 20

Author(s):

M. J. Kotelyanskii ◽

R. Hentschke

Keyword(s):

Molecular Dynamics ◽

Gibbs Ensemble ◽

Lennard Jones

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Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations

Molecular Simulation ◽

10.1080/0892702031000117270 ◽

2003 ◽

Vol 29 (6-7) ◽

pp. 463-470 ◽

Cited By ~ 20

Author(s):

Josep C. Pàmies ◽

Clare McCabe ◽

Peter T. Cummings ◽

Lourdes F. Vega

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

Coexistence Densities

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