Micelle and Inverse Micelle Structure Driven Viscoelasticity and Phase Separation in 2‑Isobutoxyethanol–Water Mixtures: Insights from All-Atom Simulations

The molecular association between 2-isobutoxyethanol (IBE) and water in mixed polar solvents was investigated by using all-atom molecular dynamics simulations over a wide composition range. Structural analyses, including radial distribution functions (RDFs) and potentials of mean force (PMFs), revea...

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Библиографические подробности
Главный автор:	Mayank Dixit (7879364) (author)
Другие авторы:	Kenji Sugase (1686628) (author), Takashi Taniguchi (331592) (author)
Опубликовано:	2025
Предметы:	Biophysics Biochemistry Cell Biology Cancer Hematology Computational Biology Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified wide composition range robust interactions promote previous experimental research pmfs ), reveal mixed polar solvents dynamical properties show deeper contact minima bond autocorrelation decay ibe – ibe inverse micelle structure ibe </ sub x </ inverse micelle bond networks >< sub ibe self viscoelastic response structural analyses slower hydrogen significantly stronger pronounced slowdown predominantly liquid phase stability phase separation molecular association mole fraction micelle structures mean force like behavior hydrogen bonds hydrogen bonding critical role controlling microstructure biochemical applications atom simulations
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Micelle and Inverse Micelle Structure Driven Viscoelasticity and Phase Separation in 2‑Isobutoxyethanol–Water Mixtures: Insights from All-Atom Simulations

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