Study of Molecular Dynamics of Lamellar Phase of Amphiphile/Water Systems

Abstract

The lamellar phase of amphiphile/water system was investigated by using atomic scale simulation. A 300 ns parallel molecular dynamics (MD) simulation was carried out for amphiphile/water system consisting of 128 sodium pentadecyl sulfonate (SPDS) and 2251 water molecules using GROMACS software package. At T=323K temperature we got both tilted fully interdigitated and liquid crystalline like disordered hydrocarbon chains, i.e. we observe a gel phase that coexists with a lamellar Lα phase.