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- W2788405851 abstract "Micellar aggregates can be arranged in new types of conformational assemblies when they are isotropically compressed. Thus, the pressure effects in the underlying fundamental interactions leading to self-assembly of micellar aggregates can be represented by changes in the phase boundaries with increasing pressure. In this paper, we have employed molecular dynamics simulations to study the self-assembly of micelles composed of the non-ionic surfactant Triton X-100 at the atomic scale, monitoring the changes in the solvation dynamics when the micelles are subjected to a wide range of hydrostatic pressures. The computational molecular model was capable of self-assembling and forming a non-ionic micelle, which subsequently was coupled to a high-pressure barostat producing a geometric transition of the micelle due to changes in the solvation dynamics. Accordingly, under a high pressure regime, the hydrogen bonds are redistributed, the water density is modified, and water acts as an unstructured liquid, capable of penetrating into the micelle." @default.
- W2788405851 created "2018-03-06" @default.
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- W2788405851 date "2018-02-20" @default.
- W2788405851 modified "2023-10-10" @default.
- W2788405851 title "Pressure effect on micellization of non-ionic surfactant Triton X-100" @default.
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- W2788405851 doi "https://doi.org/10.1063/1.5003358" @default.
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