Separation of water–alcohol mixtures using carbon nanotubes under an electric field

Winarto, Winarto; Yamamoto, Eiji; Yasuoka, Kenji

doi:10.1039/c9cp01799b

Cited by 5 publications

(5 citation statements)

References 52 publications

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“…When such a pressure is applied to a water/methanol mixture, along with an electrostatic field along the length of the CNT, only water is able to flow through the CNT due to the ordering of water molecules within the CNT. 271 This results in an effective separation of the mixture.…”

Section: Nonbiological Nanoporesmentioning

confidence: 99%

“…Applying a high piston pressure (∼500 MPa) can lead to water flow though the CNT even in the presence of an axial electrostatic field. When such a pressure is applied to a water/methanol mixture, along with an electrostatic field along the length of the CNT, only water is able to flow through the CNT due to the ordering of water molecules within the CNT . This results in an effective separation of the mixture.…”

Section: Nonbiological Nanoporesmentioning

confidence: 99%

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Water in Nanopores and Biological Channels: A Molecular Simulation Perspective

2020

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This Review explores the dynamic behavior of water within nanopores and biological channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside selected structural and other experimental investigations. Structures of biological nanopores and channels are reviewed, emphasizing those high-resolution crystal structures, which reveal water molecules within the transmembrane pores, which can be used to aid the interpretation of simulation studies. Different levels of molecular simulations of water within nanopores are described, with a focus on molecular dynamics (MD). In particular, models of water for MD simulations are discussed in detail to provide an evaluation of their use in simulations of water in nanopores. Simulation studies of the behavior of water in idealized models of nanopores have revealed aspects of the organization and dynamics of nanoconfined water, including wetting/dewetting in narrow hydrophobic nanopores. A survey of simulation studies in a range of nonbiological nanopores is presented, including carbon nanotubes, synthetic nanopores, model peptide nanopores, track-etched nanopores in polymer membranes, and hydroxylated and functionalized nanoporous silica. These reveal a complex relationship between pore size/geometry, the nature of the pore lining, and rates of water transport. Wider nanopores with hydrophobic linings favor water flow whereas narrower hydrophobic pores may show dewetting. Simulation studies over the past decade of the behavior of water in a range of biological nanopores are described, including porins and β-barrel protein nanopores, aquaporins and related polar solute pores, and a number of different classes of ion channels. Water is shown to play a key role in proton transport in biological channels and in hydrophobic gating of ion channels. An overall picture emerges, whereby the behavior of water in a nanopore may be predicted as a function of its hydrophobicity and radius. This informs our understanding of the functions of diverse channel structures and will aid the design of novel nanopores. Thus, our current level of understanding allows for the design of a nanopore which promotes wetting over dewetting or vice versa. However, to design a novel nanopore, which enables fast, selective, and gated flow of water de novo would remain challenging, suggesting a need for further detailed simulations alongside experimental evaluation of more complex nanopore systems.

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Section: Nonbiological Nanoporesmentioning

confidence: 99%

Section: Nonbiological Nanoporesmentioning

confidence: 99%

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective

2020

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“…Molecular dynamics (MD) simulations are useful for understanding water behavior in confined nanoscale systems and designing nanopores with desired transport properties [25][26][27][28][29][30][31][32][33][34] . It has been shown that time-dependent deformation of CNTPs causes unidirectional water flow without pressure difference 31,[35][36][37] , i.e., directional flow can be generated by introducing external energy as thermal fluctuations.…”

Section: Introductionmentioning

confidence: 99%

“…Molecular dynamics (MD) simulations are useful for understanding water behavior in confined nanoscale systems and designing nanopores with desired transport properties. [25][26][27][28][29][30][31][32][33][34] It has been shown that time-dependent deformation of CNTPs causes unidirectional water flow without pressure difference, 31,[35][36][37] i.e., directional flow can be generated by introducing external energy as thermal fluctuations. For technical implementations, the wettability or pore size within channels can be controlled by timedependent external stimuli, 38,39 e.g., electric fields, 33,40,41 light irradiation, 42 electromagnetic fields, 43 and pH-dependent fields.…”

Section: Introductionmentioning

confidence: 99%

Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

et al. 2023

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“…Molecular dynamics (MD) simulations are useful for understanding and designing water behavior in confined nanoscale systems [24][25][26][27][28][29][30][31][32]. It has been shown that time- * arai@mech.keio.ac.jp dependent deformation of CNTPs causes unidirectional water flow without osmotic pressure [29,[33][34][35], i.e., directional flow can be generated by introducing external energy as thermal fluctuations.…”

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confidence: 99%

Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

Arai¹,

Yamamoto²,

Kondo³

et al. 2022

Preprint

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We propose a water pump that actively transports water molecules through nanochannels. Spatially asymmetric thermal fluctuations imposed on the channel radius cause unidirectional water flow without osmotic pressure, which can be attributed to hysteresis in the cyclic transition between the wetting/drying states. We show that the water transport depends on fluctuations, such as white, Brownian, and pink noises. Because of the high-frequency components in white noise, fast switching of open and close states inhibits channel wetting. Conversely, pink and Brownian noises generate high-pass filtered net flow. Brownian fluctuation leads to a faster water transport rate, whereas pink noise has a higher capability to overcome osmotic pressure in the opposite direction. A trade-off relationship exists between the resonant frequency of the fluctuation and the flow amplification. The proposed pump can be considered as an analogy for the reversed Carnot cycle, which is the upper limit on the energy conversion efficiency.

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Separation of water–alcohol mixtures using carbon nanotubes under an electric field

Abstract: Under piston pressures and electric fields, CNTs with diameter up to 3.39 nm allow water to flow while rejecting methanol.

Cited by 5 publications

References 52 publications

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective

Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

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