Monte Carlo simulation of branched alkanes and long chain n -alkanes with anisotropic united atoms intermolecular potential

Emeric Bourasseau; Philippe Ungerer; Anne Boutin; Alain H. Fuchs

doi:10.1080/08927020290018723

Monte Carlo simulation of branched alkanes and long chain n -alkanes with anisotropic united atoms intermolecular potential

Molecular Simulation ◽

10.1080/08927020290018723 ◽

2002 ◽

Vol 28 (4) ◽

pp. 317-336 ◽

Cited By ~ 62

Author(s):

Emeric Bourasseau ◽

Philippe Ungerer ◽

Anne Boutin ◽

Alain H. Fuchs

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Intermolecular Potential ◽

Branched Alkanes ◽

Long Chain

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Monte Carlo Simulation of Long-Chain Branched Polyolefins Made with Dual Catalysts: A Classification of Chain Structures in Topological Branching Families

Industrial & Engineering Chemistry Research ◽

10.1021/ie049615l ◽

2005 ◽

Vol 44 (8) ◽

pp. 2461-2468 ◽

Cited By ~ 10

Author(s):

Leonardo C. Simon ◽

João B. P. Soares

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Long Chain

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Configurational bias Gibbs ensemble Monte Carlo simulation of vapor-liquid equilibria of linear and short-branched alkanes

Fluid Phase Equilibria ◽

10.1016/s0378-3812(97)00209-4 ◽

1997 ◽

Vol 141 (1-2) ◽

pp. 45-61 ◽

Cited By ~ 35

Author(s):

S.T. Cui ◽

P.T. Cummings ◽

H.D. Cochran

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Branched Alkanes ◽

Ensemble Monte Carlo Simulation ◽

Gibbs Ensemble Monte Carlo ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

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Polyethylene Made with Combinations of Single-Site-Type Catalysts: Monte Carlo Simulation of Long-Chain Branch Formation

Macromolecular Theory and Simulations ◽

10.1002/1521-3919(20020201)11:2<222::aid-mats222>3.0.co;2-m ◽

2002 ◽

Vol 11 (2) ◽

pp. 222-232 ◽

Cited By ~ 16

Author(s):

Leonardo C. Simon ◽

Joao B. P. Soares

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Single Site ◽

Site Type ◽

Branch Formation ◽

Long Chain ◽

Long Chain Branch ◽

Chain Branch

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Application of the Hydrated Ion Concept for Modeling Aqueous Solutions Containing Highly Charged Ions: A Monte Carlo Simulation of Cr3+in Water Using an ab Initio Intermolecular Potential†

The Journal of Physical Chemistry ◽

10.1021/jp952839k ◽

1996 ◽

Vol 100 (28) ◽

pp. 11748-11754 ◽

Cited By ~ 34

Author(s):

Rafael R. Pappalardo ◽

José M. Martínez ◽

Enrique Sánchez Marcos

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Aqueous Solutions ◽

Ab Initio ◽

Highly Charged Ions ◽

Intermolecular Potential ◽

Charged Ions ◽

Hydrated Ion

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Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

Physical Review B ◽

10.1103/physrevb.72.045447 ◽

2005 ◽

Vol 72 (4) ◽

Cited By ~ 70

Author(s):

Jianwen Jiang ◽

Stanley I. Sandler ◽

Merijn Schenk ◽

Berend Smit

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Carbon Nanotube ◽

Nanotube Bundles ◽

Branched Alkanes

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Cu+in Liquid Ammonia and in Water: Intermolecular Potential Function and Monte Carlo Simulation

The Journal of Physical Chemistry A ◽

10.1021/jp992410j ◽

1999 ◽

Vol 103 (50) ◽

pp. 11115-11120 ◽

Cited By ~ 12

Author(s):

Harno D. Pranowo ◽

A. H. Bambang Setiaji ◽

Bernd M. Rode

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Potential Function ◽

Liquid Ammonia ◽

Intermolecular Potential

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Li+ in liquid hydroxylamine: intermolecular potential function and Monte Carlo simulation

Chemical Physics ◽

10.1016/0301-0104(93)80101-e ◽

1993 ◽

Vol 172 (1) ◽

pp. 7-12 ◽

Cited By ~ 2

Author(s):

Pornthep Sompornpisut ◽

Sirirat Kokpol ◽

Bernd M. Rode

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Potential Function ◽

Intermolecular Potential

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Zinc(II) in liquid ammonia: Intermolecular potential including three‐body terms and Monte Carlo simulation

The Journal of Chemical Physics ◽

10.1063/1.462586 ◽

1992 ◽

Vol 96 (9) ◽

pp. 6945-6949 ◽

Cited By ~ 15

Author(s):

Supot Hannongbua ◽

Teerakiat Kerdcharoen ◽

Bernd M. Rode

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Liquid Ammonia ◽

Intermolecular Potential ◽

Three Body

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Atomistic Monte Carlo simulation of steady-state uniaxial elongational flow of long-chain polyethylene melts: dependence of the melt degree of orientation on stress, molecular length and elongational strain rate

Macromolecular Theory and Simulations ◽

10.1002/1521-3919(20001101)9:8<500::aid-mats500>3.0.co;2-1 ◽

2000 ◽

Vol 9 (8) ◽

pp. 500-515 ◽

Cited By ~ 14

Author(s):

Vlasis G. Mavrantzas ◽

Doros N. Theodorou

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Steady State ◽

Strain Rate ◽

Elongational Flow ◽

Polyethylene Melts ◽

Molecular Length ◽

Degree Of Orientation ◽

Long Chain

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Zinc ion in water: intermolecular potential with approximate three-body correction and Monte Carlo simulation

Chemical Physics ◽

10.1016/0301-0104(91)89009-y ◽

1991 ◽

Vol 156 (3) ◽

pp. 403-412 ◽

Cited By ~ 24

Author(s):

Yongyos P. Yongyai ◽

Sirirat Kokpol ◽

Bernd M. Rode

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Zinc Ion ◽

Intermolecular Potential ◽

Three Body

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