Abstract
The shape of a nanochannel significantly affects mass transport. This study provides a new nanochannel model made from a concentric-twin tube (CTT), which can be made by inserting a carbon nanotube (CNT) into another identical CNT. The stable configuration of such a CTT has three subchannels containing different cross-sectional shapes. Molecular dynamic approach is applied to evaluate the transport performances of the confined water in the CTT. Molecular dynamics simulations indicate that the CTT made from (17,17) CNTs is the thinnest nanochannel for water transport. The three subchannels of a CTT have different linear speeds of water and different volume flow rates depending on the CTT’s cross-sectional shapes. Based on these characteristics, a fluid nanodevice requiring special transform performances, e.g., sieving the molecules with different sizes in a solution, can be designed from the new nanochannels.
Graphical abstract
![](http://media.springernature.com/lw685/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Figa_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig1_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig2_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig3_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig4_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig5_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig6_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig7_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig8_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10404-022-02598-0/MediaObjects/10404_2022_2598_Fig9_HTML.png)
Similar content being viewed by others
Data availability statement
The data that support the findings of this study are available from the corresponding author upon reasonable request.
References
Alexiadis A, Kassinos S (2008) The density of water in carbon nanotubes. Chem Eng Sci 63:2047
Barton RA, Ilic B, Verbridge SS, Cipriany BR, Parpia JM, Craighead HG (2010) Fabrication of a nanomechanical mass sensor containing a nanofluidic channel. Nano Lett 10:2058
Berendsen H, Grigera J, Straatsma T (1987) The missing term in effective pair potentials. J Phys Chem 91:6269
Berezhkovskii A, Hummer G (2002) Single-file transport of water molecules through a carbon nanotube. Phys Rev Lett 89:064503
Cai K, Yin H, Qin QH, Li Y (2014) Self-excited oscillation of rotating double-walled carbon nanotubes. Nano Lett 14:2558
Cao W, Wang J, Ma M (2018) Mechano-nanofluidics: water transport through CNTs by mechanical actuation. Microfluid Nanofluid 22:1
Chen H, Ge Y, Ye S et al (2020) Water transport facilitated by carbon nanotubes enables a hygroresponsive actuator with negative hydrotaxis. Nanoscale 12:6104
Das A, Jayanthi S, Deepak HSMV et al (2010) Single-file diffusion of confined water inside SWNTs: an NMR study. ACS Nano 4:1687
Delhommelle J, Millié P (2001) Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation. Mol Phys 99:619
Ding H, Peng G, Mo S, Ma D, Sharshir SW, Yang N (2017) Ultra-fast vapor generation by a graphene nano-ratchet: a theoretical and simulation study. Nanoscale 9:19066
Feng J, Chen P, Zheng D, Zhong W (2018) Transport diffusion in deformed carbon nanotubes. Physica A 493:155
Hadidi H, Kamali R (2020) Non-equilibrium molecular dynamics simulations of water transport through plate-and hourglass-shaped CNTs in the presence of pressure difference and electric field. Comput Mater Sci 185:109978
Hänggi P, Marchesoni F (2009) Artificial Brownian motors: controlling transport on the nanoscale. Rev Mod Phys 81:387
Ye H, Wang J, Zheng Y, Zhang H, Chen Z (2021) Machine learning for reparameterization of four-site water models: TIP4P-BG and TIP4P-BGT. Phys Chem Chem Phys 23:10164
Holt JK, Park HG, Wang Y et al (2006) Fast mass transport through sub-2-nanometer carbon nanotubes. Science 312:1034
Hoover WG (1985) Canonical dynamics: Equilibrium phase-space distributions. Phys Rev A 31:1695
Hummer G, Rasaiah JC, Noworyta JP (2001) Water conduction through the hydrophobic channel of a carbon nanotube. Nature 414:188
Ihsanullah (2019) Carbon nanotube membranes for water purification: developments, challenges, and prospects for the future. Sep Purif Technol 209:307
Jue ML, Buchsbaum SF, Chen C et al (2020) Ultra-Permeable Single-Walled Carbon Nanotube Membranes with Exceptional Performance at Scale. Advanced Science 7:2001670
Kargar S, Moosavi A (2019) Bidirectional water transport through non-straight carbon nanotubes. J Mol Liq 276:39
Kou J, Lu H, Wu F, Fan J, Yao J (2014) Electricity resonance-induced fast transport of water through nanochannels. Nano Lett 14:4931
Li J, Kong X, Lu D, Liu Z (2015) Italicized carbon nanotube facilitating water transport: a molecular dynamics simulation. Sci Bull 60:1580
Li Y, Chen C, Meshot ER et al (2020) Autonomously responsive membranes for chemical warfare protection. Adv Func Mater 30:2000258
Liu Y, Wang Q (2005) Transport behavior of water confined in carbon nanotubes. Phys Rev B 72:085420
Luzar A, Chandler D (1996) Hydrogen-bond kinetics in liquid water. Nature 379:55
Lynch CI, Rao S, Sansom MS (2020) Water in nanopores and biological channels: a molecular simulation perspective. Chem Rev 120:10298
Mendonça BH, de Freitas DN, Köhler MH, Batista RJ, Barbosa MC, de Oliveira AB (2019) Diffusion behaviour of water confined in deformed carbon nanotubes. Physica A 517:491
Mendonça BH, Ternes P, Salcedo E, de Oliveira AB, Barbosa MC (2020) Water diffusion in rough carbon nanotubes. J Chem Phys 152:024708
Meng X (2019) A remarkable enhancement of water molecules permeation across a combined carbon nanotube. EPL (europhys Lett) 125:14001
Mukherjee B, Maiti PK, Dasgupta C, Sood A (2007) Strong correlations and Fickian water diffusion in narrow carbon nanotubes. J Chem Phys 126:124704
Nazari M, Davoodabadi A, Huang D, Luo T, Ghasemi H (2020) Transport phenomena in Nano/molecular confinements. ACS Nano 14:16348
Nosé S (1984) A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys 81:511
Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1
Qin X, Yuan Q, Zhao Y, Xie S, Liu Z (2011) Measurement of the rate of water translocation through carbon nanotubes. Nano Lett 11:2173
Rezaee M, Namvarpour M, Yeganegi A, Ghassemi H (2020) Comprehensive study of monatomic fluid flow through elliptical carbon nanotubes. Phys Fluids 32:092006
Robinson F, Shahbabaei M, Kim D (2019) Deformation effect on water transport through nanotubes. Energies 12:4424
Ryckaert J-P, Ciccotti G, Berendsen HJ (1977) Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J Comput Phys 23:327
Sahimi M, Ebrahimi F (2019) Efficient transport between disjoint nanochannels by a water bridge. Phys Rev Lett 122:214506
Shima H, Umeno Y, Sato M (2015) Molecular dynamics study of radial corrugation in carbon nanotubes. Mech Adv Mater Struct 22:423
Striolo A (2006) The mechanism of water diffusion in narrow carbon nanotubes. Nano Lett 6:633
Stuart SJ, Tutein AB, Harrison JA (2000) A reactive potential for hydrocarbons with intermolecular interactions. J Chem Phys 112:6472
Su J, Guo H (2012) Effect of nanochannel dimension on the transport of water molecules. J Phys Chem B 116:5925
Su J, Zhao Y, Fang C (2017) Hot channels engineer enhanced water transport. J Mater Sci 52:13504
Tu Y, Xiu P, Wan R, Hu J, Zhou R, Fang H (2009) Water-mediated signal multiplication with Y-shaped carbon nanotubes. Proc Natl Acad Sci 106:18120
Velioğlu S, Karahan HE, Goh K, Bae TH, Chen Y, Chew JW (2020) Metallicity-Dependent Ultrafast Water Transport in Carbon Nanotubes. Small 16:1907575
Wang L, Wu H, Wang F (2017) Water desalination using nano screw pumps with a considerable processing rate. RSC Adv 7:20360
Whitby M, Quirke N (2007) Fluid flow in carbon nanotubes and nanopipes. Nat Nanotechnol 2:87
Xu Z, Wang L, Zheng Q (2008) Enhanced mechanical properties of prestressed multi-walled carbon nanotubes. Small 4:733
Xu B, Qiao Y, Park T, Tak M, Zhou Q, Chen X (2011) A conceptual thermal actuation system driven by interface tension of nanofluids. Energy Environ Sci 4:3632
Ye H, Zheng Y, Zhang Z, Zhang H, Chen Z (2016) Controllable deformation of salt water-filled carbon nanotubes using an electric field with application to molecular sieving. Nanotechnology 27:315702
Ye H, Zheng Y, Zhou L, Zhao J, Zhang H, Chen Z (2017) Divergent effect of electric fields on the mechanical property of water-filled carbon nanotubes with an application as a nanoscale trigger. Nanotechnology 29:025707
Yu F, Shi H, Shi J, Teng K, Xu Z, Qian X (2020) High-performance forward osmosis membrane with ultra-fast water transport channel and ultra-thin polyamide layer. J Membr Sci 616:118611
Zhang Z, Li S, Mi B, Wang J, Ding J (2020) Surface slip on rotating graphene membrane enables the temporal selectivity that breaks the permeability-selectivity trade-off. Sci Adv 6:9471
Zhou X, Cai H, Hu C, Shi J, Li Z, Cai K (2020) Analogous diamondene nanotube structure prediction based on molecular dynamics and first-principle calculations. Nanomaterials 10:846
Acknowledgements
The authors would like to acknowledge the financial support from National Natural Science Foundation, of China (Grant No. 12272239) and the Start-up fund for research from Harbin Institute of Technology, Shenzhen.
Author information
Authors and Affiliations
Corresponding authors
Ethics declarations
Conflict of interest
The authors declare that there is no conflict of interests.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Cai, K., Zhou, X., Shi, J. et al. Water transport behaviors in a CTT-type nanotube system. Microfluid Nanofluid 26, 91 (2022). https://doi.org/10.1007/s10404-022-02598-0
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s10404-022-02598-0