Behavior of amphiphilic comb copolymers in oil/water mixtures. A molecular dynamics study
- Univ. of Pittsburgh, PA (United States)
We examine amphiphilic comb copolymers in which the backbone and side chains display different affinities toward water. Through molecular dynamics simulations, we alter the location of the hydrophobic segments and determine how these variations affect the structure of amphiphilic combs in solution. We also examine the behavior of these chains in oil/water mixtures. Finally, we investigate the interactions between two amphiphilic combs in two different solvents. Our aim is to isolate the factors that control cluster formation in these comb copolymers. Our results can aid in the molecular design of controlled-release pharmaceuticals, petroleum recovery agents, and viscosity modifiers for paints and coatings. 9 refs., 6 figs., 1 tab.
- DOE Contract Number:
- FG02-90ER45438
- OSTI ID:
- 5652175
- Journal Information:
- Langmuir; (United States), Journal Name: Langmuir; (United States) Vol. 8:9; ISSN LANGD5; ISSN 0743-7463
- Country of Publication:
- United States
- Language:
- English
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
AFFINITY
COPOLYMERS
ENHANCED RECOVERY
LENNARD-JONES POTENTIAL
MATHEMATICAL MODELS
MOLECULAR MODELS
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC POLYMERS
POLYMERS
POTENTIALS
SURFACTANTS