Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Hezaveh, Samira ^a   Samanta, Susruta ^a   Milano, Giuseppe ^b   Roccatano, Danilo ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b UNIVERSITY OF SALERNO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BIFURCATED HYDROGEN BONDING; CONFORMATIONAL PREFERENCES; CONFORMATIONAL PROPERTIES; END-TO-END DISTANCES; EXPERIMENTAL DATA; HYDROPHOBIC EFFECT; INFINITE DILUTION; LIGHT SCATTERING DATA; METHYL GROUP; MOLECULAR DYNAMICS SIMULATIONS; N-HEPTANES; NMR STUDIES; PERSISTENCE LENGTH; PLURONICS; POLAR SOLVENT MOLECULES; POLYMER CHAINS; RADIUS OF GYRATION; SEMI-FLEXIBLE CHAINS; SHORTER CHAINS; SOLVENT EFFECTS; TRANS CONFORMATIONS;

CARBON TETRACHLORIDE; CHLORINE COMPOUNDS; DYNAMICS; FUNCTIONAL GROUPS; HEPTANE; HYDROGEN BONDS; METHANOL; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; POLYETHYLENE OXIDES; POLYETHYLENES; POLYPROPYLENE OXIDES; POLYPROPYLENES; THERMOPLASTICS;

CONFORMATIONS;

CARBON TETRACHLORIDE; CHLOROFORM; HEPTANE; MACROGOL DERIVATIVE; METHANOL; N-HEPTANE; POLYPROPYLENE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS;

CARBON TETRACHLORIDE; CHLOROFORM; HEPTANES; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; METHANOL; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; POLYETHYLENE GLYCOLS; POLYPROPYLENES; WATER;

EID: 84859541176     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3694736     Document Type: Article

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