Molecular dynamics simulations of the hydration of poly(vinyl methyl ether): Hydrogen bonds and quasi-hydrogen bonds

Science in China, Series B: Chemistry

Volumn 51, Issue 8, 2008, Pages 736-742

  Wu, Rongliang ^a   Ji, Qing ^a   Kong, Bin ^a   Yang, Xiaozhen ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

Computer simulation; Hydrogen bond; Molecular dynamics; Poly(vinyl methyl ether)(PVME); Quasi hydrogen bond

Indexed keywords

ATOMIC PHYSICS; ATOMS; BINDING SITES; CONCENTRATION (PROCESS); DIFFERENTIAL SCANNING CALORIMETRY; DISTRIBUTION FUNCTIONS; DYNAMICS; ENTHALPY; ETHERS; HYDRATION; HYDROGEN; LASER INTERFEROMETRY; MOLECULAR DYNAMICS; MOLECULES; NANOFLUIDICS; NONMETALS; ORGANIC COMPOUNDS; OXYGEN; POLYMER SOLUTIONS; POLYMERS; QUANTUM CHEMISTRY; SOLUTIONS; TESTING; THERMODYNAMICS; VAN DER WAALS FORCES;

AQUEOUS SOLUTIONS; CHAIN SEGMENTS; CONCENTRATION (COMPOSITION); DE-MIXING; DISTANCE DISTRIBUTIONS; DYNAMIC TESTING; HYDRATION STRUCTURES; LOW-MOLECULAR-WEIGHT (LMW); MOLECULAR DYNAMICS SIMULATIONS (MDS); MOLECULAR SCALES; MONO-DISPERSED; OXYGEN ATOMS; POLY(VINYL METHYL ETHER) (PVME); POLYMER CHAINS; POLYVINYL METHYL ETHER (PVME); RADIAL DISTRIBUTION FUNCTION (RDF); SCANNING CALORIMETRY; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31); VAN DER WAALS (VDW) INTERACTIONS; WATER MOLECULES;

HYDROGEN BONDS;

EID: 47749120967     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-008-0078-4     Document Type: Article

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