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The Mesoscopic Simulation on the Structures of the Surfactant Solution Using Dissipative Particle Dynamics

[+] Author Affiliations
Ki Young Kim, Ki-Taek Byun, Ho-Young Kwak

Chung-Ang University

Paper No. IMECE2005-80702, pp. 139-144; 6 pages
doi:10.1115/IMECE2005-80702
From:
  • ASME 2005 International Mechanical Engineering Congress and Exposition
  • Fluids Engineering
  • Orlando, Florida, USA, November 5 – 11, 2005
  • Conference Sponsors: Fluids Engineering Division
  • ISBN: 0-7918-4219-3 | eISBN: 0-7918-3769-6
  • Copyright © 2005 by ASME

abstract

With a simple model of surfactant which consists of hydrophilic head group and hydrophobic tail groups connected by harmonic springs, structural change of the association structures of surfactant in an aqueous solution was studied using the dissipative particle dynamics (DPD) simulation. The effect of the hydrophilic interaction between the head and water molecules and the hydrophobic interaction between the tail and water molecules and the head and tail on the structural change of the association structures was studied. Simulations show that proper value of these interaction parameters could yield desirable change of the association structure depending on the concentration of the surfactant. For example, a hexagonal structure appears when the volume fraction of surfactant of SDS (sodium dodecyl sulfate) becomes 25% in aqueous solution, which is in good agreement with observation.

Copyright © 2005 by ASME

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