The Reverse Hexagonal Mesophase

In a very recent study we examined theoretically the structure of water inside the water cylinder of inverse hexagonal mesophase (Hu) of monoolein (GMO). using methods of Molecular Dynamics. Due to the complex geometry of the system, a novel method for obtaining the distribution of water at the initial moment of calculation process is developed and applied. The initial density of water was obtained by fitting the final results within predictor-corrector scheme. [Pg.360]

Distribution of hydrogen bonds, density as well as radial distribution of water molecules, across the water cylinder were calculated. They showed the presence of water structure deep in the cylinder (about 6 A below the GMO heads). The obtained results may help to understand the role of water strucftire in processes of insertion of external molecules inside GMO/water structure. [Pg.360]

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