Interfacial thermal conductance between TiO2 nanoparticle and water: A molecular dynamics study
نویسندگان
چکیده
The interfacial thermal conductance (Kapitza conductance) between a TiO2 nanoparticle and water is investigated using transient non-equilibrium molecular dynamics. It found that Kapitza of nanoparticles one order magnitude greater than other conventional such as gold, silver, silicon, platinum also carbon nanotubes graphene flakes. This difference can be explained by comparing the contribution electrostatic interactions partially charged titanium oxygen atoms to van der Waals interactions, which increases cooling time about 10 times. effects diameter temperature nanoparticle, surface wettability on are investigated. results showed increasing from 4 9 nm, decreased slightly. Also, heated 400 K 600 led enhancement. has been coupling strength Lennard-Jones (LJ) potential 0.5 caused increment 20%. shown continuum model its input provided dynamics suitable approximation describe relaxation in liquid medium.
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ژورنال
عنوان ژورنال: Journal of Molecular Liquids
سال: 2022
ISSN: ['0167-7322', '1873-3166']
DOI: https://doi.org/10.1016/j.molliq.2021.118053