TY - JOUR
T1 - Dynamic ejection behaviour of water molecules passing through a nano-aperture nozzle
AU - Kuo, Jenn Kun
AU - Lai, Hsin Yi
AU - Huang, Pei Hsing
AU - Jhan, Jhih Wei
N1 - Funding Information:
This work was supported by the Ministry of Science and Technology, R.O.C. [grant number MOST 106-2221-E-020-014 and grant number MOST 106-2622-E-020-004-CC3]. The authors gratefully acknowledge the support provided for this research by the Ministry of Science and Technology, R.O.C. under grants MOST 106-2221-E-020-014 and MOST 106-2622-E-020-004-CC3. We would also like to thank the National Center for High-performance Computing (NCHC) of National Applied Research Laboratories (NARLabs) of Taiwan for providing computational and storage resources.
Funding Information:
The authors gratefully acknowledge the support provided for this research by the Ministry of Science and Technology, R.O.C. under grants MOST 106-2221-E-020-014 and MOST 106-2622-E-020-004-CC3. We would also like to thank the National Center for High-performance Computing (NCHC) of National Applied Research Laboratories (NARLabs) of Taiwan for providing computational and storage resources.
Funding Information:
This work was supported by the Ministry of Science and Technology, R.O.C. [grant number MOST 106-2221-E-020-014 and grant number MOST 106-2622-E-020-004-CC3].
Publisher Copyright:
© 2018, © 2018 Informa UK Limited, trading as Taylor & Francis Group.
PY - 2018/11/22
Y1 - 2018/11/22
N2 - This study used molecular dynamics (MD) simulation to investigate the passage of water molecules through a composite graphene/Au nano-nozzle. Our focus was on the degree to which system temperature, extrusion speed, and nozzle diameter affect jet dynamics and the associated transient phenomena. Our findings show that high pressure and spatial confinement cause the nanojet from a small nozzle diameter (1.0 nm) to bend and twist, whereas the jets from a nozzle with a diameter of 1.5 nm present columns of greater stability. At 100 K, the H2O nanojet froze at the outlet of the nozzle in the form of condensed icicles. At 500 K, the H2O nanojet formed a loose spray and gaseous clusters. High extrusion speed of 55.824 m/s produced recirculating flow downstream from the nanojet with the appearance of an erupting volcano, which further prompted the jet column to thicken. Lower extrusion speeds produced jets with flow velocity insufficient to overcome the capillary force at the outlet of the nozzle, which subsequently manifests as unstable fluctuations in the flow rate. HIGHLIGHTS Water molecules through a composite graphene/Au nano-nozzle forming a nanojet is investigated. High pressure and spatial confinement cause the nanojet from a small nozzle diameter (≤1.0 nm) to bend and twist. High extrusion speed (≧55.824 m/s) produced recirculating flow downstream from the nanojet. Figure abstract: Schematic of the H2O nano-jet through a nano-nozzle of graphene/Au.
AB - This study used molecular dynamics (MD) simulation to investigate the passage of water molecules through a composite graphene/Au nano-nozzle. Our focus was on the degree to which system temperature, extrusion speed, and nozzle diameter affect jet dynamics and the associated transient phenomena. Our findings show that high pressure and spatial confinement cause the nanojet from a small nozzle diameter (1.0 nm) to bend and twist, whereas the jets from a nozzle with a diameter of 1.5 nm present columns of greater stability. At 100 K, the H2O nanojet froze at the outlet of the nozzle in the form of condensed icicles. At 500 K, the H2O nanojet formed a loose spray and gaseous clusters. High extrusion speed of 55.824 m/s produced recirculating flow downstream from the nanojet with the appearance of an erupting volcano, which further prompted the jet column to thicken. Lower extrusion speeds produced jets with flow velocity insufficient to overcome the capillary force at the outlet of the nozzle, which subsequently manifests as unstable fluctuations in the flow rate. HIGHLIGHTS Water molecules through a composite graphene/Au nano-nozzle forming a nanojet is investigated. High pressure and spatial confinement cause the nanojet from a small nozzle diameter (≤1.0 nm) to bend and twist. High extrusion speed (≧55.824 m/s) produced recirculating flow downstream from the nanojet. Figure abstract: Schematic of the H2O nano-jet through a nano-nozzle of graphene/Au.
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U2 - 10.1080/08927022.2018.1520389
DO - 10.1080/08927022.2018.1520389
M3 - Article
AN - SCOPUS:85053398373
VL - 44
SP - 1469
EP - 1477
JO - Molecular Simulation
JF - Molecular Simulation
SN - 0892-7022
IS - 17
ER -