A Refined Molecular Dynamics Approach to Predict the Thermophysical Properties of Positively Charged Alumina Nanoparticles Suspended in Water
An enhanced Molecular Dynamics (MD) approach, synergistically combined with a fine-tuned Force Field (FF) model, is introduced to predict the behavior and thermophysical properties of cationic alumina (γ-Al2O3) nanoparticles (NPs) dispersed in water at 4 different volumetric concentrations (1%, 2%,...
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| Auteurs principaux: | , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Elsevier
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/a0809d4a97634d3d86900164c10bf66c |
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