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Subglass Relaxations. Intermolecular Packing And The Relaxation Times For Ester Side Group Reorientation : A Molecular Dynamics Simulation

G. Smith, R. Boyd
Published 1992 · Chemistry

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A model for the experimentally studied methyl acrylate(MA)-ethylene copolymer was considered. Free energy barriers for the rotation of a MA side group in a polyethylene matrix were generated for a number of molecular dynamics(MD)-generated glass structures. The distribution of rotational energy barriers determined from the MD study is very broad and resembles closely the experimental distribution. The variations of barrier height are found to correlate with close range packing effects in the glass.



This paper is referenced by
10.1016/0144-8617(94)90155-4
Sub-Tg thermal properties of amorphous waxy starch and its derivatives
R. C. Yuan (1994)
10.1016/0144-8617(93)90102-A
Thermal properties of polysaccharides at low moisture: 1—An endothermic melting process and water-carbohydrate interactions
I. Appelqvist (1993)
10.1002/PEN.11809
Molecular mobility in polycyanurate networks investigated by viscoelastic measurements and molecular simulations
Olivier Georjon (1997)
10.1016/S0167-9317(96)00068-8
Dielectric properties of PET below its glass transition temperature
T. Pop (1997)
10.1016/J.EURPOLYMJ.2008.07.031
Dielectric relaxation in amorphous linear aliphatic copolyesters
S. Sen (2008)
10.1063/1.476430
SUBGLASS CHAIN DYNAMICS AND RELAXATION IN POLYETHYLENE : A MOLECULAR DYNAMICS SIMULATION STUDY
Y. Jin (1998)
10.1063/1.478892
CHAIN DYNAMICS IN THE NEMATIC MELT OF AN AROMATIC LIQUID CRYSTALLINE COPOLYESTER : A MOLECULAR DYNAMICS SIMULATION STUDY
R. Bharadwaj (1999)
10.1246/BCSJ.72.1203
Side Chain Dynamics in Poly(ethyl acrylate) Studied by Molecular Dynamics Simulation
H. Kikuchi (1999)
10.1094/CCHEM.2000.77.5.544
Evaluation of Compatibility of Rice Starch and Pectins by Glass Transition and Sub‐Tg Endotherms and the Effect of Compatibility on Gel Viscosity and Water Loss
Yu-Chi Lai (2000)
10.1007/978-94-010-0373-5_26
Functionalized Polyethylene Synthesis Via ADMET Chemistry
J. E. Schwendeman (2002)
10.1016/0032-3861(94)90064-7
Dielectric relaxation properties of poly(dimethylphenyl methacrylate)s
R. D. Calleja (1994)
10.1007/BFB0080202
A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases
E. Leontidis (1994)
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