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[HTML][HTML] Recent advances in particle-based simulation of surfactants
We review the recent literature on particle-based simulation of surfactants, focusing on key
methodological developments in the areas of surfactant self-assembly, micelle formation …
methodological developments in the areas of surfactant self-assembly, micelle formation …
Understanding the colloidal dispersion stability of 1D and 2D materials: perspectives from molecular simulations and theoretical modeling
The colloidal dispersion stability of 1D and 2D materials in the liquid phase is critical for
scalable nano-manufacturing, chemical modification, composites production, and …
scalable nano-manufacturing, chemical modification, composites production, and …
Micelle structure and hydrophobic hydration
JA Long, BM Rankin, D Ben-Amotz - Journal of the American …, 2015 - ACS Publications
Despite the ubiquity and utility of micelles self-assembled from aqueous surfactants,
longstanding questions remain regarding their surface structure and interior hydration. Here …
longstanding questions remain regarding their surface structure and interior hydration. Here …
Modeling aggregation of ionic surfactants using a smeared charge approximation in dissipative particle dynamics simulations
Using dissipative particle dynamics (DPD) simulations, we explore the specifics of
micellization in the solutions of anionic and cationic surfactants and their mixtures. Anionic …
micellization in the solutions of anionic and cationic surfactants and their mixtures. Anionic …
CO2-responsive surfactant for oil-in-water emulsification and demulsification from molecular perspectives
To economically and environmentally recover oil from reservoirs and promote CO 2
utilization (CU) project, CO 2 responsive surfactants have been developed to undertake …
utilization (CU) project, CO 2 responsive surfactants have been developed to undertake …
Micelle formation in alkyl sulfate surfactants using dissipative particle dynamics
We use dissipative particle dynamics (DPD) to study micelle formation in alkyl sulfate
surfactants, with alkyl chain lengths ranging from 6 to 12 carbon atoms. We extend our …
surfactants, with alkyl chain lengths ranging from 6 to 12 carbon atoms. We extend our …
Oleic acid phase behavior from molecular dynamics simulations
Fatty acid aggregation is important for a number of diverse applications: from origins of life
research to industrial applications to health and disease. Experiments have characterized …
research to industrial applications to health and disease. Experiments have characterized …
[HTML][HTML] Determination of the critical micelle concentration in simulations of surfactant systems
Alternative methods for determining the critical micelle concentration (cmc) are investigated
using canonical and grand canonical Monte Carlo simulations of a lattice surfactant model …
using canonical and grand canonical Monte Carlo simulations of a lattice surfactant model …
Molecular modeling of surfactant micellization using solvent-accessible surface area
We report a new implicit solvent simulation model for studying the self-assembly of
surfactants, where the hydrophobic interactions were captured by calculating the relative …
surfactants, where the hydrophobic interactions were captured by calculating the relative …
Molecularly informed field theory for estimating critical micelle concentrations of intrinsically disordered protein surfactants
The critical micelle concentration (CMC) is a crucial parameter in understanding the self-
assembly behavior of surfactants. In this study, we combine simulation and experiment to …
assembly behavior of surfactants. In this study, we combine simulation and experiment to …