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Adsorption Characteristics of Sodium Dodecyl Sulfate on Zwitterionic Functionalized Alumina: A Molecular Dynamics Study
(2017-05)
A classical molecular dynamics simulation was conducted in order to determine the extent of surfactant adsorption on zwitterionic functionalized Al2O3. Sodium dodecyl sulfate was used as a model anionic surfactant, and ...
A Molecular Dynamics Simulation Study of the Hydrogen Bond Networks in Water-Glycerol Mixtures
(2019-05-11)
Molecular Dynamics simulations are performed over a wide range of water-glycerol concentrations to observe the intermolecular hydrogen bond (H-bond) populations at each concentration. The measured values from simulations ...