Coarse-grained molecular dynamics simulation of polyethylene terephthalate (PET)

Macromolecules

Volumn 43, Issue 24, 2010, Pages 10722-10734

  Wang, Qifei ^a   Keffer, David J ^a   Nicholson, Donald M ^b   Thomas, J Brock ^c  

^a University of Tennessee   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c EASTMAN CHEMICAL COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; COARSE-GRAINED; COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS; DEGREE OF POLYMERIZATION; DYNAMIC PROPERTY; END-TO-END DISTANCES; ENTANGLED POLYMERS; INVERSION PROCEDURE; MD SIMULATION; MELT SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; ORNSTEIN-ZERNIKE EQUATIONS; PERCUS-YEVICK APPROXIMATIONS; RADIUS OF GYRATION; SCALING EXPONENT; SELF-DIFFUSIVITY; SHEAR-RATE; THEORETICAL VALUES; TUBE DIAMETERS;

COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; ETHYLENE; MOLECULAR DYNAMICS; POLYMER MELTS; POLYMERIZATION; THERMOPLASTICS;

POLYETHYLENE TEREPHTHALATES;

EID: 78650477365     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma102084a     Document Type: Article

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