[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 …
Challenge to reconcile experimental micellar properties of the cnem nonionic surfactant family
We wished to compile a data set of results from the experimental literature to support the
development and validation of accurate computational models (force fields) for an important …
development and validation of accurate computational models (force fields) for an important …
AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations
Many research questions benefit from molecular dynamics simulations to observe the
motions and conformations of molecules over time, which rely on force fields that describe …
motions and conformations of molecules over time, which rely on force fields that describe …
Phase behavior of alkyl ethoxylate surfactants in a dissipative particle dynamics model
We present a dissipative particle dynamics (DPD) model capable of capturing the liquid
state phase behavior of nonionic surfactants from the alkyl ethoxylate (C n E m) family. The …
state phase behavior of nonionic surfactants from the alkyl ethoxylate (C n E m) family. The …
Nonane and Hexanol Adsorption in the Lamellar Phase of a Nonionic Surfactant: Molecular Simulations and Comparison to Ideal Adsorbed Solution Theory
MS Minkara, TR Josephson… - The Journal of …, 2022 - ACS Publications
Adsorption of n-nonane/1-hexanol (C9/C6OH) mixtures into the lamellar phase formed by a
50/50 w/w triethylene glycol mono-n-decyl ether (C10E3)/water system was studied using …
50/50 w/w triethylene glycol mono-n-decyl ether (C10E3)/water system was studied using …
A review of GEMC method and its improved algorithms
L Zhang, Y Yang, K Yin, Y Liu - Acta Geochimica, 2023 - Springer
Abstract Gibbs Ensemble Monte Carlo (GEMC) is a molecular simulation method commonly
used for simulating phase equilibrium. This method has been proposed since 1987 and …
used for simulating phase equilibrium. This method has been proposed since 1987 and …