Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants
J. -B. Maillet, V. Lachet, P. V. Coveney
Abstract
We report on an investigation of the structural and dynamical properties of n-nonyltrimethylammonium chloride (C9TAC) and erucyl bis [2-hydroxyethyl] methylammonium chloride (EMAC) micelles in aqueous solution. A fully atomistic description was used, and the time evolution was computed using molecular dynamics.
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