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Cationic Surfactants - OSTI GOV

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Last Updated: 02 November 2021

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Inhomogeneous Distribution of Cationic Surfactants around Anionic Molecular Clusters

When uranyl peroxide nanoclusters U 60 connect with a little number of cationic surfactant particles, a fascinating sensation is reported. Cationic surfactant particles do not disperse uniformly around the U 60 clusters throughout the communication as anticipated.

Source link: https://www.osti.gov/biblio/1767531


Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants

We think about both the common Martini pressure area and the implicit solvent variation of the Martini force field. We research the practices of CTAB at a water/vacuum user interface, at a water/organic solvent user interface and in a pre-assembled CTAB micelle using both standard and Dry Martini and all-atomic simulations. Interestingly, implicit solvent simulations with Dry Martini reveal good quantitative agreement with all-atomic MD simulations, much better than explicit solvent Martini MD simulations. The computational effectiveness of the Martini and Dry Martini versions allowed us to research the self-assembly of CTAB in a large system with many micelles. We observe the self-assembly of CTAB into micelles and additionally the exchange of CTAB particles in between micelles by events such as micelle fusion and fission which are hard to observe in all-atomic MD simulations due to the time and length scales entailed.

Source link: https://www.osti.gov/biblio/1543796

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions