Thermal properties of liquid entrapped between hybrid wettability surface

Journal Article Molecular Dynamics Nano-scale Simulation Specific Heat Thermal Transport Wettability
Priom Das* , Zarif Ahmad Razin Bhuiyan* , AKM Monjur Morshed , Titan C Paul
* Equal contribution / Co-first authors
IEEE Citation
P. Das*, Z. A. R. Bhuiyan*, A. K. M. M. Morshed, and T. C. Paul, "Thermal properties of liquid entrapped between hybrid wettability surface," Computational Materials Science, vol. 244, pp. 113232, 2024.
* Equal contribution / Co-first authors

Abstract

Molecular dynamics (MD) simulations were conducted to investigate the impact of hybrid wettability on thermal properties, specifically focusing on the constant volume molar heat capacity and thermal conductivity of Nano-confined liquid (NCL). The simulation domain, maintained at a temperature of 100 K, consisted of a∼ 3 nm—thin film of liquid argon entrapped between two solid copper surfaces with hybrid wettability. Hybrid wettability surfaces were produced by varying the solid–liquid interaction parameter and applying two different wettability factors (μ) to the same surface. In this study, key findings pertaining to the influence of hybrid wettability on heat capacity and thermal conductivity include: (i) The heat capacity of liquid confined within hybrid wettability surfaces surpasses the heat capacity of the liquid in its bulk form. …

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Publication Details

Journal / SourceComputational Materials Science
PublisherElsevier
Volume244
Pages113232
Publication DateSeptember 1, 2024
DOI10.1016/j.commatsci.2024.113232