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Molecular Dynamics Simulation of Micellar Shape Transition in Amphiphilic Solutions
- Source :
- Plasma and Fusion Research. 9(Special Issue 2):3401067
- Publication Year :
- 2014
- Publisher :
- The Japan Society of Plasma Science and Nuclear Fusion Research, 2014.
-
Abstract
- The micellar shape transition in amphiphilic solutions is studied by coarse-grained molecular dynamics simulations of rigid amphiphilic molecules with explicit solvent molecules. Our simulations show that the dominant micellar shape changes from disc to cylinder, and then to sphere as the hydrophilic interaction increases. We find that, as the hydrophilic interaction increases, the potential energy decreases monotonically even during the micellar shape transition, whereas the slope of the potential energy decreases in a stepwise manner in relation to the micellar shape transition. We also ascertained that there exists a wide coexistence region in the intensity of the hydrophilic interaction between a cylinder and a sphere, whereas the coexistence region between a cylinder and a disc is very narrow.
- Subjects :
- hydrophilic interaction
Materials science
Condensed Matter Physics
Potential energy
Cylinder (engine)
law.invention
Physics::Fluid Dynamics
Condensed Matter::Soft Condensed Matter
Solvent
dynamic coexistence
Molecular dynamics
molecular dynamics simulation
amphiphilic solution
law
Lyotropic liquid crystal
Chemical physics
Amphiphile
Molecule
SPHERES
micellar shape transition
Subjects
Details
- Language :
- English
- ISSN :
- 18806821
- Volume :
- 9
- Issue :
- Special Issue 2
- Database :
- OpenAIRE
- Journal :
- Plasma and Fusion Research
- Accession number :
- edsair.doi.dedup.....6525a29af4992ee01a8955bc1e37fcd1