Glass transition temperature of poly(vinylchloride) from molecular dynamics simulation: Explicit atom model versus rigid CH2 and CHCl groups model

Computational and Theoretical Polymer Science

Volumn 11, Issue 1, 2001, Pages 29-34

  Abu Sharkh, B F ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

Glass transition; Molecular dynamics simulation; Poly(vinylchloride); Pressure volume temperature behavior

Indexed keywords

AMORPHOUS MATERIALS; COMPUTER SIMULATION; GLASS TRANSITION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

POLYMER CHAIN;

POLYVINYL CHLORIDES;

COMPUTER SIMULATION; GLASS TRANSITION TEMPERATURE; MODEL; MOLECULAR STRUCTURE; POLYVINYL CHLORIDE;

EID: 0033815044     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00070-7     Document Type: Article

References (18)

1. Glass transition temperatures of polymers from molecular dynamics simulation
2. Detailed molecular structure of polar vinyl polymer glass
3. Conformations of 2.4-dichloropentane and 2,4,6-trichloroheptane and a force field for poly-(vinylchloride) based upon ab initio electronic structure calculations