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Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

J. -B. Maillet·V. Lachet·P. V. Coveney
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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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J. -B. Maillet, V. Lachet, P. V. Coveney. 1999-11-02. Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants. https://doi.org/10.1039/a905216j

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