Title: Molecular dynamics simulation of the nano-ejection system with various interfacial wettabilities

Authors: Chi-Fu Dai; Rong-Yeu Chang

Addresses: Institute of Nuclear Energy Research, Atomic Energy Council, 1000, Wenhua Road, Jiaan Township, Longtan, Taoyuan County 32546, Taiwan; Department of Chemical Engineering, National Tsing-Hua University, 101, Section 2, Kuang-Fu Road, Hsinchu, 30043, Taiwan ' Institute of Nuclear Energy Research, Atomic Energy Council, 1000, Wenhua Road, Jiaan Township, Longtan, Taoyuan County 32546, Taiwan; Department of Chemical Engineering, National Tsing-Hua University, 101, Section 2, Kuang-Fu Road, Hsinchu, 30043, Taiwan

Abstract: Because of the significance of the interfacial phenomenon, this study examines the nanojet ejection systems with various interfacial wettabilities. A modified Lennard-Jones potential function was used to simulate the various solid-liquid interfacials from strongly hydrophilic to strongly hydrophobic. The properties distributions with various hydrophilic/hydrophobic interfaces are shown and discussed. The results show that decreased degree of hydrophilic interaction between solid-liquid molecules will promote the liquid injection through a nozzle. But the ejection systems are similar in the hydrophobic cases. Results that illustrate various features are presented to aid in the comprehension of the nanojet systems.

Keywords: simulation; molecular dynamics; nanojet ejection; interfacial wettabilities; hydrophobic interfaces; hydrophilic interfaces; nano-ejection systems; nanotechnology.

DOI: 10.1504/IJNT.2014.065135

International Journal of Nanotechnology, 2014 Vol.11 No.12, pp.1088 - 1096

Published online: 14 Oct 2014 *

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