Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 2. Implementation
Article Abstract:
The implementation of the computer simulation-free-energy/molecular thermodynamics (CS-FE/MT) model for evaluating the free energy of micellization is described. The studies have shown that the CS-FE/MT model can be used for making accurate predictions of the free-energy changes associated with forming multicomponent surfactant and solubilizate micelles in aqueous solution where the chemical structures of the surfactants, cosurfactants and solubilizates are different
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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Behavior of surfactant molecules near the critical micelle concentration: a statistical treatment
Article Abstract:
The phenomenological description of the behavior of surfactant molecules near the critical micelle concentration (CMC) for a pure surfactant solution is presented. The studies provide insight into the local maximum of the chemical potential, local minimum of the surface tension and the estimate of the micelle size.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
User Contributions:
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