Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics Simulation of the Sodium Octanoate Micelle in Aqueous Solution: Comparison of Force Field Parameters and Molecular Topology Effects on the Micellar Structure
We have performed a series of 10 ns Molecular Dynamics simulations of the sodium octanoate micelle in aqueous solution in the constant NpT ensemble, at p = 1 bar and T = 300 K. Two molecular topologies were studied, one with all internal degrees of freedom and the other constraining bond stretching and angle bending degrees of freedom. Two Lennard-Jones parameters for sodium ions, namely the OP...
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In this study the operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamic simulations through the Gupta multiparticle potential and the nonergodicity of simulations is eliminated by the multiple histogram method. The melting characteristics are determined by the analysis of variations in the potential energy. The calculations indicate that the melting of Au15Ag...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2005
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2005.05.039