Identity, energy and environment of interfacial water molecules in a micellar solution

Article Abstract:

The structure and energetics of interfacial water molecules in an aqueous micelle of cesium perfluorooctanoate were investigated, using large-scale atomistic molecular dynamics simulations. The simulations show that the water molecules at the interface fall into two broad classes, namely, bound and free, present in a ratio of 9:1.

Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Industrial inorganic chemicals, not elsewhere classified, Cesium, Usage, Molecular dynamics

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Molecular theory of the sphere-to-rod transition and the second CMC in aqueous micellar solutions

Article Abstract:

A molecular-level theory for the structure and growth of linear micelles, structure of intermediate-size micelles are presented and analyzed. The "second CMC" behavior is demonstrated by numerical calculations of micellar size, distribution and average aggregation numbers as a function of the total concentration.

Micelles

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