Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Wettability effect on nanoconfined water flow.

ABSTRACT: 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.

SUBMITTER: Wu K

PROVIDER: S-EPMC5380095 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Wettability effect on nanoconfined water flow.

Wu Keliu K Chen Zhangxin Z Li Jing J Li Xiangfang X Xu Jinze J Dong Xiaohu X

Proceedings of the National Academy of Sciences of the United States of America 20170313 13

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 f ...[more]

PMID: 28289228

Similar Datasets

Chemistry in nanoconfined water.

Project description:Nanoconfined liquids have extremely different properties from the bulk, which profoundly affects chemical reactions taking place in nanosolvation. Here, we present extensive ab initio simulations of a vast set of chemical reactions within a water lamella that is nanoconfined by mineral surfaces, which might be relevant to prebiotic peptide formation in aqueous environments. Our results disclose a rich interplay of distinct effects, from steric factors typical of reactions occurring in small spaces to a charge-stabilization effect in nanoconfined water at extreme conditions similar to that observed in bulk water when changing from extreme to ambient conditions. These effects are found to modify significantly not only the energetics but also the mechanisms of reactions happening in nanoconfined water in comparison to the corresponding bulk regime.

| S-EPMC5418629 | biostudies-literature

Atmospheric Water Harvesting: Role of Surface Wettability and Edge Effect.

Project description:Atmospheric water is emerging as an important potable water source. The present work experimentally and theoretically investigates water condensation and collection on flat surfaces with contrasting contact angles and contact angle hysteresis (CAH) to elucidate their roles on water mass collection efficiency. The experimental results indicate that a hydrophilic surface promotes nucleation and individual droplets growth, and a surface with a low CAH tends to let a smaller droplet to slide down, but the overall water mass collection efficiency is independent of both surface contact angle and CAH. The experimental results agree well with our theoretical calculations. During water condensation, a balance has to be struck between single droplet growth and droplet density on a surface so as to maintain a constant water droplet surface coverage ratio, which renders the role of both surface wettability and hysteresis insignificant to the ultimate water mass collection. Moreover, water droplets on the edges of a surface grow much faster than those on the non-edge areas and thus dominate the contribution to the water mass collection by the entire surface, directly pointing out the very important role of edge effect on water condensation and collection.

| S-EPMC6607251 | biostudies-literature

The effect of surface wettability on water vapor condensation in nanoscale.

Project description:The effect of surface wettability on condensation heat transfer in a nanochannel is studied with the molecular dynamics simulations. Different from the conventional size, the results show that the filmwise mode leads to more efficient heat transfer than the dropwise mode, which is attributed to a lower interfacial thermal resistance between the hydrophilic surface and the condensed water compared with the hydrophobic case. The observed temperature jump at the solid-liquid surface confirms that the hydrophilic properties of the solid surface can suppress the interfacial thermal resistance and improve the condensation heat transfer performance effectively.

| S-EPMC4709718 | biostudies-other

An analog of Friedel oscillations in nanoconfined water

Project description:Abstract Water confined in nanometer-scale crevices and cavities underpins a wide range of fundamental processes, such as capillary flow, ion transport and protein folding. However, how water responds within these confined spaces, with prevalent inhomogeneity built in or caused by impurities, is not well understood. Here, we show theoretically that water confined in one-dimensional nanochannels with localized perturbation exhibits pronounced density oscillations. The oscillations occur vividly like the Friedel oscillations in electron density resulting from defects in metals. A model analysis reveals that the density oscillations result from the perturbation-induced molecular scattering that is augmented by the confinement-enhanced correlation of water dipoles. This renders the oscillations a general behavior independent of the channel geometries and specific forms of the perturbation. Under confinements comparable to biological ion channels, such oscillations can strikingly extend over 10 nm, resulting in non-trivial effects at large distances that, for example, repel all ions from the channels with their long-range force. These results deepen the understanding of biological functions and inspire new applications in a variety of domains, such as ionic sensing and seawater desalination. Water confined in nanochannels with localized perturbations exhibits Friedel-like density oscillations that can repel ions from the channels with their long-range force, with implication for applications in ionic sensing and seawater desalination.

| S-EPMC9529359 | biostudies-literature

Nanoconfined Fluids: Uniqueness of Water Compared to Other Liquids.

Project description:Nanoconfinement can drastically change the behavior of liquids, puzzling us with counterintuitive properties. It is relevant in applications, including decontamination and crystallization control. However, it still lacks a systematic analysis for fluids with different bulk properties. Here we address this gap. We compare, by molecular dynamics simulations, three different liquids in a graphene slit pore: (1) A simple fluid, such as argon, described by a Lennard-Jones potential; (2) an anomalous fluid, such as a liquid metal, modeled with an isotropic core-softened potential; and (3) water, the prototypical anomalous liquid, with directional HBs. We study how the slit-pore width affects the structure, thermodynamics, and dynamics of the fluids. All the fluids show similar oscillating properties by changing the pore size. However, their free-energy minima are quite different in nature: (i) are energy-driven for the simple liquid; (ii) are entropy-driven for the isotropic core-softened potential; and (iii) have a changing nature for water. Indeed, for water, the monolayer minimum is entropy driven, at variance with the simple liquid, while the bilayer minimum is energy driven, at variance with the other anomalous liquid. Also, water has a large increase in diffusion for subnm slit pores, becoming faster than bulk. Instead, the other two fluids have diffusion oscillations much smaller than water, slowing down for decreasing slit-pore width. Our results, clarifying that water confined at the subnm scale behaves differently from other (simple or anomalous) fluids under similar confinement, are possibly relevant in nanopores applications, for example, in water purification from contaminants.

| S-EPMC8717635 | biostudies-literature

Scaling behaviour for the water transport in nanoconfined geometries.

Project description:The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale linearly with the sole parameter θ as D(θ) = D(B)[1+(D(C)/D(B)-1)θ], with DB and DC the bulk and totally confined diffusion of water, respectively. The parameter θ is primarily influenced by geometry and represents the ratio between the confined and total water volumes. The D(θ) relationship is interpreted within the thermodynamics of supercooled water. As an example, such relationship is shown to accurately predict the relaxometric response of contrast agents for magnetic resonance imaging. The D(θ) relationship can help in interpreting the transport of water molecules under nanoconfined conditions and tailoring nanostructures with precise modulation of water mobility.

| S-EPMC3988813 | biostudies-literature

Wettability control on multiphase flow in patterned microfluidics.

Project description:Multiphase flow in porous media is important in many natural and industrial processes, including geologic CO2 sequestration, enhanced oil recovery, and water infiltration into soil. Although it is well known that the wetting properties of porous media can vary drastically depending on the type of media and pore fluids, the effect of wettability on multiphase flow continues to challenge our microscopic and macroscopic descriptions. Here, we study the impact of wettability on viscously unfavorable fluid-fluid displacement in disordered media by means of high-resolution imaging in microfluidic flow cells patterned with vertical posts. By systematically varying the wettability of the flow cell over a wide range of contact angles, we find that increasing the substrate's affinity to the invading fluid results in more efficient displacement of the defending fluid up to a critical wetting transition, beyond which the trend is reversed. We identify the pore-scale mechanisms-cooperative pore filling (increasing displacement efficiency) and corner flow (decreasing displacement efficiency)-responsible for this macroscale behavior, and show that they rely on the inherent 3D nature of interfacial flows, even in quasi-2D media. Our results demonstrate the powerful control of wettability on multiphase flow in porous media, and show that the markedly different invasion protocols that emerge-from pore filling to postbridging-are determined by physical mechanisms that are missing from current pore-scale and continuum-scale descriptions.

| S-EPMC5027428 | biostudies-literature

A general and facile chemical avenue for the controlled and extreme regulation of water wettability in air and oil wettability under water.

Project description:The controlled modulation of both oil (under water) and water (in air) wettability is an emerging approach to develop several functional materials for various prospective applications including oil/water separation, anti-corrosive coatings, underwater robotics, protein crystallization, drug delivery, open microfluidics, water harvesting etc. Here, we report a 'reactive' and covalently cross-linked coating through a facile and robust Michael addition reaction, which is suitable for the controlled and extreme regulation of both water and oil wettability in air and under water respectively. Along with extremes (super-philicity and super-phobicity) of water (in air) and oil (under water) wettability, this single multilayer construction was also able to display special liquid wettability (i.e.; extremely liquid repellent-but with controlled adhesive properties) both in air and under water, after strategic post chemical modifications, again through 1,4-conjugate addition reaction. The super-wetting properties in the materials were able to withstand various physical and chemical insults including adhesive tape test, sand drop test, and exposure to extremes of pH, salt, and surfactant contaminated aqueous media. Moreover, this approach also allowed the decoration of various flexible and rigid substrates (i.e.; wood, Al-foil, synthetic fabric etc.) with various bio-inspired wettability properties including (1) non-adhesive superhydrophobicity (lotus leaf), (2) adhesive superhydrophobicity (rose petal), (3) underwater superoleophobicity (fish scale) etc. This single polymeric coating-which is capable of displaying several bio-inspired interfaces both in air and under water, even after harsh physical/chemical insults-would be useful in various prospective and relevant applications for practical scenarios.

| S-EPMC5627351 | biostudies-literature

Intelligent Coatings with Controlled Wettability for Oil–Water Separation

Project description:Intelligent surfaces with controlled wettability have caught much attention in industrial oily wastewater treatment. In this study, a hygro-responsive superhydrophilic/underwater superoleophobic coating was fabricated by the liquid-phase deposition of SiO2 grafted with perfluorooctanoic acid. The wettability of the surface could realize the transformation from superhydrophilicity/underwater superoleophobicity (SHI/USOB) to superhydrophobicity/superoleophilicity (SHB/SOI), both of which exhibited excellent separation performance towards different types of oil–water mixtures with the separation efficiency higher than 99%. Furthermore, the long-chain perfluoroakyl substances on the surface could be decomposed by mixing SiO2 with TiO2 nanoparticles under UV irradiation, which could reduce the pollution to human beings and environment. It is anticipated that the prepared coating with controlled wettability could provide a feasible solution for oil–water separation.

| S-EPMC9500904 | biostudies-literature

Structure, Dynamics, and Wettability of Water at Metal Interfaces.

Project description:The water/metal interface often governs important chemophysical processes in various technologies. Therefore, from scientific and engineering perspectives, the detailed molecular-level elucidation of the water/metal interface is of high priority, but the related research is limited. In experiments, the surface-science techniques, which can provide full structural details of the surface, are not easy to directly apply to the interfacial systems under ambient conditions, and the well-defined facets cannot be entirely free from contamination at the contact with water. To answer long-standing debates regarding the wettability, structure, and dynamics of water at metal interfaces, we here develop reliable first-principles-based multiscale simulations. Using the state-of-the-art simulations, we find that the clean metal surfaces are actually superhydrophilic and yield zero contact angles. Furthermore, we disclose an inadequacy of widespread ice-like bilayer model of the water adlayers on metal surfaces from both averaged structural and dynamic points of view. Our findings on the nature of water on metal surfaces provide new molecular level perspectives on the tuning and design of water/metal interfaces that are at the heart of many energy applications.

| S-EPMC6794260 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data