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Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles

Thomas, Anish
http://rave.ohiolink.edu/etdc/view?acc_num=wright1652197035154694

Abstract Details

2022, Master of Science in Mechanical Engineering (MSME), Wright State University, Mechanical Engineering.
This study uses molecular dynamics simulations to evaluate the dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface. We consider the bead-spring model to represent a polymeric liquid that partially wets a rough surface composed of a periodic array of spherical particles. Results show that at sufficiently small values of external force, the droplet remains pinned at the particle's surface, whereas above the threshold its motion consists of alternating periods of pinning and rapid displacements between neighboring particles. The latter process involves large periodic variation of the advancing and receding contact angles due to the attachment and detachment of the contact line. Finally, upon increasing the external force, the droplet's center of mass is steadily displaced, while at the same time the oscillation amplitude of the receding contact angle as well as the maximum contact angle hysteresis remain relatively unchanged.
Nikolai V. Priezjev, Ph.D. (Advisor)
Ahsan Mian, Ph.D. (Committee Member)
Sheng Li, Ph.D. (Committee Member)
46 p.
Materials Science; Mechanical Engineering; Nanoscience
Liquid-solid interfaces; Molecular dynamics simulations; Wetting; Contact angle; Superhydrophobic surfaces

Recommended Citations

Citations

  • Thomas, A. (2022). Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles [Master's thesis, Wright State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=wright1652197035154694

    APA Style (7th edition)

  • Thomas, Anish. Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles. 2022. Wright State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=wright1652197035154694.

    MLA Style (8th edition)

  • Thomas, Anish. "Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles." Master's thesis, Wright State University, 2022. http://rave.ohiolink.edu/etdc/view?acc_num=wright1652197035154694

    Chicago Manual of Style (17th edition)

wright1652197035154694
108
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This open access ETD is published by Wright State University and OhioLINK.