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      Wettability and confinement size effects on stability of water conveying nanotubes

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          Abstract

          This study investigates the wettability and confinement size effects on vibration and stability of water conveying nanotubes. We present an accurate assessment of nanotube stability by considering the exact mechanics of the fluid that is confined in the nanotube. Information on the stability of nanotubes in relation to the fluid viscosity, the driving force of the fluid flow, the surface wettability of the nanotube, and the nanotube size is missing in the literature. For the first time, we explore the surface wettability dependence of the nanotube natural frequencies and stability. By means of hybrid continuum-molecular mechanics (HCMM), we determined water viscosity variations inside the nanotube. Nanotubes with different surface wettability varying from super-hydrophobic to super-hydrophilic nanotubes were studied. We demonstrated a multiphase structure of nanoconfined water in nanotubes. Water was seen as vapor at the interface with the nanotube, ice shell in the middle, and liquid water in the nanotube core. The average velocity of water flow in the nanotube was obtained strongly depend on the surface wettability and the confinement size. In addition, we report the natural frequencies of the nanotube as functions of the applied pressure and the nanotube size. Mode divergence and flutter instabilities were observed, and the activation of these instabilities strongly depended on the nanotube surface wettability and size. This work gives important insights into understanding the stability of nanotubes conveying fluids depending on the operating pressures and the wettability and size of confinement. We revealed that hydrophilic nanotubes are generally more stable than hydrophobic nanotubes when conveying fluids.

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          Most cited references67

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          Carbon nanotube biosensors

          Nanomaterials possess unique features which make them particularly attractive for biosensing applications. In particular, carbon nanotubes (CNTs) can serve as scaffolds for immobilization of biomolecules at their surface, and combine several exceptional physical, chemical, electrical, and optical characteristics properties which make them one of the best suited materials for the transduction of signals associated with the recognition of analytes, metabolites, or disease biomarkers. Here we provide a comprehensive review on these carbon nanostructures, in which we describe their structural and physical properties, functionalization and cellular uptake, biocompatibility, and toxicity issues. We further review historical developments in the field of biosensors, and describe the different types of biosensors which have been developed over time, with specific focus on CNT-conjugates engineered for biosensing applications, and in particular detection of cancer biomarkers.
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            Wettability effect on nanoconfined water flow.

            Understanding and controlling the flow of water confined in nanopores has tremendous implications in theoretical studies and industrial applications. Here, we propose a simple model for the confined water flow based on the concept of effective slip, which is a linear sum of true slip, depending on a contact angle, and apparent slip, caused by a spatial variation of the confined water viscosity as a function of wettability as well as the nanopore dimension. Results from this model show that the flow capacity of confined water is 10-1∼107 times that calculated by the no-slip Hagen-Poiseuille equation for nanopores with various contact angles and dimensions, in agreement with the majority of 53 different study cases from the literature. This work further sheds light on a controversy over an increase or decrease in flow capacity from molecular dynamics simulations and experiments.
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              Why are carbon nanotubes fast transporters of water?

              Extraordinarily fast transport of water in carbon nanotubes (CNTs) in recent experiments has been generally attributed to the smoothness of the CNT surface. Using molecular dynamics simulations we investigate water flow in (16,16) CNTs and show that the enhanced flow rates over Hagen-Poiseuille flow arise from a velocity "jump" in a depletion region at the water nanotube interface and that the water orientations and hydrogen bonding at the interface significantly affect the flow rates. For nanotube with the same smooth wall structure but with more hydrophilic Lennard-Jones (LJ) parameters of silicon, the enhancement is greatly reduced because it does not have "free" OH bonds pointing to the wall as in CNTs that would reduce the number of hydrogen bonds in the depletion layer. Roughness in the tube walls causes strong hydrogen-bonding network and no significant flow enhancement is attained in rough tubes.
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                Author and article information

                Contributors
                mohamed.i@adu.ac.ae
                Journal
                Sci Rep
                Sci Rep
                Scientific Reports
                Nature Publishing Group UK (London )
                2045-2322
                13 October 2020
                13 October 2020
                2020
                : 10
                : 17167
                Affiliations
                [1 ]GRID grid.444459.c, ISNI 0000 0004 1762 9315, Mechanical Engineering Department, , Abu Dhabi University, ; P.O.BOX 1790, Al Ain, United Arab Emirates
                [2 ]GRID grid.449778.1, Department of Engineering, , American University of Iraq Sulaimani (AUIS), ; Sulaimania, 46001 Iraq
                [3 ]GRID grid.444935.b, ISNI 0000 0004 4912 3044, Faculty of Mechanical Engineering, , Urmia University of Technology, ; Urmia, Iran
                Article
                74398
                10.1038/s41598-020-74398-x
                7555514
                3942510a-8fb1-4ab4-824e-aa6cc82b31b1
                © The Author(s) 2020

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

                History
                : 3 May 2020
                : 25 September 2020
                Funding
                Funded by: Abu Dhabi University
                Award ID: 19300474
                Award ID: 19300475
                Award Recipient :
                Categories
                Article
                Custom metadata
                © The Author(s) 2020

                Uncategorized
                carbon nanotubes and fullerenes,phase transitions and critical phenomena,fluid dynamics

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