New Energy Exploitation and Application

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The Influences of Adsorption Mechanism of Linear and Branched Alkanes Liquid Contacting Face-Centered Cubic Lattice on Heat Transport

solid-liquid interfaces; adsorption mechanism; alkane liquid; molecular dynamics simulations

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https://doi.org/10.54963/neea.v3i2.330
SALEMAN, A. R., MD DAUD, N., SUDIN, M. N., ZAKARIA, M. S., MOHD ROSLI, M. A., & MANSHOOR, B. (2024). The Influences of Adsorption Mechanism of Linear and Branched Alkanes Liquid Contacting Face-Centered Cubic Lattice on Heat Transport: solid-liquid interfaces; adsorption mechanism; alkane liquid; molecular dynamics simulations. New Energy Exploitation and Application, 3(2). https://doi.org/10.54963/neea.v3i2.330
Volume 3 Issue 2 (2024): In Progress
Copyright (c) 2024 ABDUL RAFEQ SALEMAN, NAZRI MD DAUD, MOHD NIZAM SUDIN, MOHAMAD SHUKRI ZAKARIA, MOHD AFZANIZAM MOHD ROSLI, BUKHARI MANSHOOR
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Authors

  • ABDUL RAFEQ SALEMAN
    DR
  • NAZRI MD DAUD Faculty of Mechanical Technology and Engineering, Universiti Teknikal Malaysia Melaka
  • MOHD NIZAM SUDIN Faculty of Mechanical Technology and Engineering, Universiti Teknikal Malaysia Melaka
  • MOHAMAD SHUKRI ZAKARIA Faculty of Mechanical Technology and Engineering, Universiti Teknikal Malaysia Melaka
  • MOHD AFZANIZAM MOHD ROSLI Faculty of Mechanical Technology and Engineering, Universiti Teknikal Malaysia Melaka
  • BUKHARI MANSHOOR Fakulti Kejuruteraan Mekanikal dan Pembuatan, Universiti Tun Hussien Onn Malaysia

In tribology studies, the interaction between solid and liquid surfaces is a common focus, with particular attention given to wear rates and surface scars. These wear and scar issues are analyzed through adsorption mechanisms. A key factor in these problems is the orientation of the liquid on solid surfaces, which requires an in-depth examination of molecular orientations. This study aims to investigate the adsorption mechanisms of liquids on solid surfaces by analyzing structural quantities such as density and orientation order parameters. The research employs molecular dynamics simulations to model a gold solid with face-centered cubic (FCC) (100) surfaces in contact with three different alkanes (pentane, heptane, and 3-ethylpentane). The simulations are conducted at a uniform temperature set at 0.7 of the liquid's critical temperature. Results indicate that liquids with linear molecular structures exhibit higher adsorption behavior compared to those with branched structures, which affects heat transfer near the contact interfaces. Further research is needed to explore how the surface structure of the solid affects these interactions.

Keywords:

Solid-Liquid Interfaces; Adsorption Mechanism; Alkane Liquid; Molecular Dynamics Simulations.

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