Micellar fission

Fission, or a rupture, of a charged micelle. Fission is induced by electrostatics. Fission proceeds through the formation of a narrow and long stalk. This stalk is highly interdigitated and ordered. The life-time of the stalk can be controlled by controlling the electrostatic interactions.

Details: Explicit water (SPC); explicit ions (CaCl2 and NaCl); Gromacs simulation engine; SDS surfactants; PME electrostatics

References:

1. Micelle fission through surface instability and formation of an interdigitating stalk. M. Sammalkorpi, M. Karttunen, M. Haataja. J. Am. Chem. Soc. 130, 17977-17980 (2008). http://dx.doi.org/10.1021/ja8077413

See also:

a) Structural properties of ionic detergent aggregates: A large-scale molecular dynamics study of sodium dodecyl sulfate. M. Sammalkorpi, M. Karttunen, M. Haataja.
J. Phys. Chem. B 111, 11722-11733 (2007). http://dx.doi.org/10.1021/jp072587a

b) Ionic surfactant aggregates in saline solutions: Sodium dodecyl sulphate (SDS) in the presence of excess NaCl or CaCl2. M. Sammalkorpi, M. Karttunen, M. Haataja
J. Phys. Chem. B 113, 5863-5870 (2009). http://dx.doi.org/10.1021/jp901228v

Category:

Science & Technology

Tags:

• softsimu
• molecular dynamics
• micelles
• fission
• soft matter physics
• biophysics
• computer simulation
• SDS

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