Free volume analysis and transport mechanisms of PVC modified with fluorothiophenol compounds. A molecular simulation study

Macromolecules

Volumn 43, Issue 17, 2010, Pages 7357-7367

  Sacristan, Javier ^a   Mijangos, Carmen ^a  

^a INSTITUTO DE CIENCIA Y TECNOLOGÍA DE POLÍMEROS   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

4-FLUOROTHIOPHENOL; ATOMISTIC MODELS; DIFFUSION COEFFICIENTS; DIFFUSION MECHANISMS; FREE VOLUME DISTRIBUTION; GAS TRANSPORT; GAS TRANSPORT MECHANISMS; HIGHER TEMPERATURES; LOW TEMPERATURES; MATRIX; MD SIMULATION; MODIFICATION DEGREES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; ORDERED POLYMERS; POLYMER BACKBONES; SIMULATION STUDIES; SIMULATION TIME; TEMPERATURE RANGE; TRANSPORT MECHANISM; VOLUME ANALYSIS;

CHLORINE COMPOUNDS; COMPUTER SIMULATION; DIFFUSION; DYNAMICS; FREE VOLUME; MOLECULAR DYNAMICS;

POLYVINYL CHLORIDES;

EID: 77956407749     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma1011045     Document Type: Article

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