Monte Carlo Simulation of Long Chain Polymer Melts: Crossover from Rouse to Reptation Dynamics

Macromolecules ◽

10.1021/ma001500f ◽

2001 ◽

Vol 34 (4) ◽

pp. 1105-1117 ◽

Author(s):

T. Kreer ◽

J. Baschnagel ◽

M. Müller ◽

K. Binder

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Chain Polymer ◽

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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 ◽

Author(s):

Leonardo C. Simon ◽

João B. P. Soares

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

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Detailed atomistic Monte Carlo simulation of grafted polymer melts: II. Orientational order and nuclear magnetic resonance spectra

The Journal of Chemical Physics ◽

10.1063/1.1526466 ◽

2003 ◽

Vol 118 (3) ◽

pp. 1521-1532 ◽

Author(s):

Kostas Ch. Daoulas ◽

Vlasis G. Mavrantzas ◽

Demetri J. Photinos

Keyword(s):

Nuclear Magnetic Resonance ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Magnetic Resonance ◽

Polymer Melts ◽

Orientational Order ◽

Grafted Polymer ◽

Nuclear Magnetic Resonance Spectra ◽

Magnetic Resonance Spectra ◽

Nuclear Magnetic

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ATOMISTIC MONTE CARLO SIMULATION STUDIES OF POLYMER MELTS GRAFTED ON SOLID SUBSTRATES

Computational Methods in Sciences and Engineering 2003 ◽

10.1142/9789812704658_0029 ◽

2003 ◽

Author(s):

K. DAOULAS ◽

V.G. MAVRANTZAS

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Simulation Studies ◽

Solid Substrates

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A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

Molecular Physics ◽

10.1080/00268979300100641 ◽

1993 ◽

Vol 78 (4) ◽

pp. 961-996 ◽

Author(s):

L.R. Dodd ◽

T.D. Boone ◽

D.N. Theodorou

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Concerted Rotation

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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 ◽

Author(s):

Leonardo C. Simon ◽

Joao B. P. Soares

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Single Site ◽

Site Type ◽

Branch Formation ◽

Long Chain Branch ◽

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Monte Carlo simulation of the glass transition in two‐ and three‐dimensional polymer melts: Influence of the spatial dimension

The Journal of Chemical Physics ◽

10.1063/1.467782 ◽

1994 ◽

Vol 101 (2) ◽

pp. 1616-1624 ◽

Author(s):

B. Lobe ◽

J. Baschnagel

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Glass Transition ◽

Polymer Melts ◽

Three Dimensional ◽

Spatial Dimension

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Detailed atomistic Monte Carlo simulation of grafted polymer melts. I. Thermodynamic and conformational properties

The Journal of Chemical Physics ◽

10.1063/1.1478055 ◽

2002 ◽

Vol 116 (24) ◽

pp. 11028-11038 ◽

Author(s):

Kostas Ch. Daoulas ◽

Andreas F. Terzis ◽

Vlasis G. Mavrantzas

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Grafted Polymer ◽

Conformational Properties

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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 ◽

Author(s):

Emeric Bourasseau ◽

Philippe Ungerer ◽

Anne Boutin ◽

Alain H. Fuchs

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Intermolecular Potential ◽

Branched Alkanes ◽

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Dynamic Properties of Polymer Melts above the Glass Transition: Monte Carlo Simulation Results

ACS Symposium Series - Structure and Properties of Glassy Polymers ◽

10.1021/bk-1998-0710.ch004 ◽

1999 ◽

pp. 53-77

Author(s):

Jörg Baschnagel

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Glass Transition ◽

Polymer Melts ◽

Dynamic Properties ◽

Simulation Results

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Monte-Carlo Simulation of 3-Dimensional Glassy Polymer Melts: Reptation Versus Single Monomer Dynamics

Journal de Physique II ◽

10.1051/jp2:1995228 ◽

1995 ◽

Vol 5 (7) ◽

pp. 1035-1052 ◽

Author(s):

M. Wolfgardt ◽

J. Baschnagel ◽

K. Binder

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Glassy Polymer ◽

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