Atomistic simulation of poly(dimethylsiloxane): Force field development, structure, and thermodynamic properties of polymer melt and solubility of n-alkanes, n-perfluoroalkanes, and noble and light gases

Macromolecules

Volumn 40, Issue 5, 2007, Pages 1720-1729

  Makrodimitri, Zoi A ^a   Dohrn, Ralf ^b   Economou, Ioannis G ^a  

^a INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY   (Greece)

^b BAYER AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POLYMER MELTS; SOLUBILITY; THERMODYNAMIC PROPERTIES;

FORCE FIELD DEVELOPMENT; MICROSCOPIC STRUCTURE; MOLECULAR SIMULATION; PERFLUOROALKANES;

POLYDIMETHYLSILOXANE;

EID: 33947285579     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma062453f     Document Type: Article

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