Scaled effective solvent method for predicting the equilibrium ensemble of structures with analysis of thermodynamic properties of amorphous polyethylene glycol-water mixtures

Journal of Physical Chemistry B

Volumn 117, Issue 3, 2013, Pages 916-927

  Shin, Hyeyoung ^a   Pascal, Tod A ^a,b   Goddard, William A ^a,b   Kim, Hyungjun ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DRUG DELIVERY; ENTROPY; FORECASTING; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POLYETHYLENE GLYCOLS; POLYMER MELTS; SOLVENTS; THERMODYNAMICS; WATER SUPPLY;

AMORPHOUS POLYETHYLENES; AVERAGE SIZE; CRITICAL COMPONENT; DILUTE LIMIT; EQUILIBRIUM POLYMERS; EXPERIMENTAL TECHNIQUES; EXPLICIT WATER; GLYCOL-WATER MIXTURE; HIGH-MOLECULAR WEIGHT POLYMERS; INDUSTRIAL PROCESSS; MICROSCOPIC STRUCTURES; MONTE CARLO; POLYMER CHAINS; RADIUS OF GYRATION; SOLVENT METHOD; WATER PURIFICATION; WATERSOLUBLE POLYMERS;

MONTE CARLO METHODS;

EID: 84872876342     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp310422q     Document Type: Article

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