A Refined Molecular Dynamics Approach to Predict the Thermophysical Properties of Positively Charged Alumina Nanoparticles Suspended in Water

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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Bibliographic Details
Main Authors: Sylvie Antoun, Seshasai Srinivasan, M. Ziad Saghir
Format: Article
Language:English
Published: Elsevier 2021-11-01
Series:International Journal of Thermofluids
Subjects:
Aluminum Oxide
Molecular dynamics
Thermal Transport, pH resolved surface model
Online Access:http://www.sciencedirect.com/science/article/pii/S2666202721000525

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