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Scaled effective solvent method for predicting the equilibrium ensemble of structures with analysis of thermodynamic properties of amorphous polyethylene glycol-water mixtures
- Source :
- The journal of physical chemistry. B. 117(3)
- Publication Year :
- 2012
-
Abstract
- Water-soluble polymers such as polyethylene glycol (PEG) are critical components of industrial processes ranging from drug delivery to water purification. However, the understanding of the microscopic structure of these polymers in water and of the thermodynamics of the mixtures is limited because available experimental techniques (such as SLS and SANS) give little information about conformations and provide even the radius of gyration only in the dilute limit (~
- Subjects :
- chemistry.chemical_classification
Quantitative Biology::Biomolecules
Drug Carriers
Aqueous solution
Temperature
Thermodynamics
Water
Polymer
Polyethylene glycol
Molecular Dynamics Simulation
Surfaces, Coatings and Films
Polyethylene Glycols
Solvent
Condensed Matter::Soft Condensed Matter
chemistry.chemical_compound
Molecular dynamics
Monomer
chemistry
Computational chemistry
PEG ratio
Materials Chemistry
Radius of gyration
Physical and Theoretical Chemistry
Monte Carlo Method
Subjects
Details
- ISSN :
- 15205207
- Volume :
- 117
- Issue :
- 3
- Database :
- OpenAIRE
- Journal :
- The journal of physical chemistry. B
- Accession number :
- edsair.doi.dedup.....97e8004c9335cc534e7a60ad11f88f37