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One major limitation of phase-change materials (PCM) for thermal energy storage comes from their poor thermal conductivity hindering heat transfer process and power density. Nanocomposites PCMs, where highly conductive nanofillers are dispersed into PCM matrices, have been exploited in the past decades as novel latent heat storage materials with enhanced thermal conductivity. A computational model based on continuum simulations capable to link microscopic characteristics of nanofillers and the bulk PCM with the macroscopic effective thermal conductivity of the resulting nanocomposite is the aim of this work. After preliminary mean-field simulations investigating the impact of the nanofiller aspect ratio on the thermal conductivity of the nanocomposite, finite element simulations at reduced aspect ratios have been performed with corrected thermal conductivity values of the filler, to take into account the thermal interface resistances between fillers and matrix. Finally, the thermal conductivity at the actual aspect ratios has been extrapolated by the results obtained at reduced aspect ratios thus saving computational time and meshing efforts. This method has been validated through comparison against previous literature evidence and new experimental characterizations of nanocomposite PCMs.

The anomalous behavior of confined water at the nanoscale has remarkable implications in a number of nanotechnological applications. In this work, we analyze the effect of water self-diffusion on the dynamic properties of a solvated gadolinium-based paramagnetic complex, typically used for contrast enhancement in magnetic resonance imaging. In particular, we examine the effect of silica-based nanostructures on water behavior in the proximity of the paramagnetic complex via atomistic simulations, and interpret the resulting tumbling dynamics in the light of the local solvent modification based on the Lipari–Szabo formalism and of the fractional Stokes–Einstein relation. It is found that the local water confinement induces an increased “stiffness” on the outer sphere of the paramagnetic complex, which eventually reduces its tumbling properties. These model predictions are found to explain well the relaxivity enhancement observed experimentally by confining paramagnetic complexes into porous nanoconstructs, and thus offer mechanistic guidelines to design improved contrast agents for imaging applications.

Carbon nanotubes/epoxy composites are increasingly employed in several industrial fields, because of the enhanced material properties provided by the nanofillers. In particular, the thermal conductivity of these nanocomposites is determined by heat transfer mechanisms occurring over multiple scales, thus causing a complex relation between effective response and microscopic characteristics of the material. Here, the thermal properties of epoxy composites reinforced by carbon nanotubes are investigated using atomistic simulations. For a better understanding of how the effective thermal conductivity arises from the characteristics of the composite at the nanoscale, the thermal properties of its constituents are studied separately according to different geometrical, physical and chemical characteristics. The thermal conductivity of carbon nanotubes and epoxy resin alone is first investigated by molecular dynamics; then, the Kapitza resistance at the nanotube–nanotube and nanotube–epoxy interfaces is studied as well. The effective thermal conductivity of the carbon nanotubes/epoxy composite is finally computed and the observed behavior interpreted on the basis of the properties of the nanofillers, matrix and interfaces alone. Results – verified against effective medium theory predictions – show that, for the considered configurations, the effective thermal conductivity of the nanocomposite increases with the nanotube length and volume fraction, with the curing degree of the epoxy and system temperature. In perspective, the presented approach could be employed to investigate other constitutive materials or properties of nanocomposites.

Polyethylene (PE) has emerged recently as a promising polymer for incorporation in wearable textiles owing to its high infrared transparency and tuneable visible opacity, which allows the human body to cool via thermal radiation, potentially saving energy on building refrigeration. Here, we show that single-material PE fabrics may offer a sustainable, high-performance alternative to conventional textiles, extending beyond radiative cooling. PE fabrics exhibit ultra-light weight, low material cost and recyclability. Industrial materials sustainability (Higg) index calculations predict a low environmental footprint for PE fabrics in the production phase. We engineered PE fibres, yarns and fabrics to achieve efficient water wicking and fast-drying performance which, combined with their excellent stain resistance, offer promise in reducing energy and water consumption as well as the environmental footprint of PE textiles in their use phase. Unlike previously explored nanoporous PE materials, the high-performance PE fabrics in this study are made from fibres melt spun and woven on standard equipment used by the textile industry worldwide and do not require any chemical coatings. We further demonstrate that these PE fibres can be dry coloured during fabrication, resulting in dramatic water savings without masking the PE molecular fingerprints scanned during the automated recycling process. The textile industry is one of the largest polluters. Here the authors show that polyethylene is a sustainable alternative textile with water wicking and fast-drying performance. The fabrication of polyethylene fabrics is compatible with standard equipment and could be dry-coloured, further reducing water consumption.

The efficient dissipation of localized heat flux by convection is a key request in several engineering applications, especially electronic ones. The recent advancements in manufacturing processes are unlocking the design and industrialization of heat exchangers with unprecedented geometric characteristics and, thus, performance. In this work, laser etching manufacturing technique is employed to develop metal surfaces with designed microstructured surface patterns. Such precise control of the solid-air interface (artificial roughness) allows to manufacture metal heat sinks with enhanced thermal transmittance with respect to traditional flat surfaces. Here, the thermal performance of these laser-etched devices is experimentally assessed by means of a wind tunnel in a fully turbulent regime. At the highest Reynolds number tested in the experiments ( R e L &asymp, 16 , 500 ), elliptic scale-roughened surfaces show thermal transmittances improved by up to 81% with respect to heat sinks with flat surface. At similar testing conditions, cones patterns provide an enhancement in Nusselt number and thermal transmittance of up to 102% and 357%, respectively. The latter results are correlated with the main geometric and thermal fluid dynamics descriptors of the convective heat transfer process in order to achieve a predictive model of their performance. The experimental evidence shown in this work may encourage and guide a broader use of micro-patterned surfaces for enhancing convective heat transfer in heat exchangers.

We will discuss new metamaterials with tunable photon and phonon transport properties achieved by either sculpting the meso-scale structure of polymers or using polymers to sculpt the internal structure of nanoparticle arrays.

Net cooling flux and temperature difference shown in a static machine only driven by salty water solutions., Space cooling in buildings is anticipated to rise because of an increasing thermal comfort demand worldwide, and this calls for cost-effective and sustainable cooling technologies. We present a proof-of-concept multistage device, where a net cooling capacity and a temperature difference are demonstrated as long as two water solutions at disparate salinity are maintained. Each stage is made of two hydrophilic layers separated by a hydrophobic membrane. An imbalance in water activity in the two layers naturally causes a non-isothermal vapor flux across the membrane without requiring any mechanical ancillaries. One prototype of the device developed a specific cooling capacity of up to 170 W m−2 at a vanishing temperature difference, considering a 3.1 mol/kg calcium chloride solution. To provide perspective, if successfully up-scaled, this concept may help satisfy at least partially the cooling needs in hot, humid regions with naturally available salinity gradients.

In this work, we propose and investigate the use of double-walled carbon nanotubes (DWCNTs) as nanosized rockets. The nanotubes are immersed in water, and the propulsion of inner nanotube is achiev...

Thermal energy storage is a key technology to increase the global energy share of renewables - by matching energy availability and demand - and to improve the fuel economy of energy systems - by recovery and reutilization of waste heat. In particular, the negligible heat losses of sorption technologies during the storing period make them ideal for applications where long-term storage is required. Current technologies are typically based on the sorption of vapour sorbates on solid sorbents, requiring cumbersome reactors and components operating at below ambient pressure. In this work, we report the experimental characterization of working pairs made of various liquid sorbates (distilled water, ethanol and their mixture) and a 13X zeolite sorbent at ambient pressure. The sorbent hydration by liquid sorbates shows lower heat storage performance than vapour hydration; yet, it provides similar heat storage density to that obtainable by latent heat storage (40-50 kWh/m^3) at comparable costs, robustness and simplicity of the system, while gaining the long-term storage capabilities of sorption-based technologies. As a representative application example of long-term storage, we verify the feasibility of a sorption heat storage system with liquid sorbate, which could be used to improve the cold-start of stand-by generators driven by internal combustion engines. This example shows that liquid hydration may be adopted as a simple and low-cost alternative to more efficient - yet more expensive - techniques for long-term energy storage.

Hydrophobic zeolites are nanoporous materials that are attracting an increasing interest, especially for catalysis, desalination, energy storage and biomedical applications. Nevertheless, a more profound understanding and control of water infiltration in their nanopores is still desirable to rationally design zeolite-based materials with tailored properties. In this work, both atomistic simulations and previous experimental data are employed to investigate water infiltration in hydrophobic MFI zeolites with different concentration of hydrophilic defects. Results show that limited concentrations of defects (e.g. 1%) induce a change in the shape of infiltration isotherms (from type-V to type-I), which denotes a sharp passage from typical hydrophobic to hydrophilic behavior. A correlation parametrized on both energy and geometric characteristics of the zeolite (infiltration model) is then adopted to interpolate the infiltration isotherms data by means of a limited number of physically-meaningful parameters. Finally, the infiltration model is combined with the water-zeolite interaction energy computed by simulations to correlate the water intrusion mechanism with the atomistic details of the zeolite crystal, such as defects concentration, distribution and hydrophilicity. The suggested methodology may allow a faster (more than one order of magnitude) and more systematic preliminary computational screening of innovative zeolite-based materials for energy storage, desalination and biomedical purposes.

Graphene nanoribbons (GNRs) can be added as fillers in polymer matrix composites for enhancing their thermo-mechanical properties. In the present study, we focus on the effect of chemical and geometrical characteristics of GNRs on the thermal conduction properties of composite materials. Configurations consisting of single and triple GNRs are here considered as representative building blocks of larger filler networks. In particular, GNRs with different length, relative orientation and number of cross-linkers are investigated. Based on results obtained by Reverse Non-equilibrium Molecular Dynamics simulations, we report correlations relating thermal conductivity and thermal boundary resistance of GNRs with their geometrical and chemical characteristics. These effects in turn affect the overall thermal transmittance of graphene based networks. In the broader context of effective medium theory, such results could be beneficial to predict the thermal transport properties of devices made of polymer matrix composites, which currently find application in energy, automotive, aerospace, electronics, sporting goods, and infrastructure industries.

Taking inspiration from the structure of diatom algae frustules and motivated by the need for new detecting strategies for emerging nanopollutants in water, we analyze the potential of nanoporous silica tablets as metering devices for the concentration of biomolecules or nanoparticles in water. The concept relies on the different diffusion behavior that water molecules exhibit in bulk and nanoconfined conditions, e.g., in nanopores. In this latter situation, the self-diffusion coefficient of water reduces according to the geometry and surface properties of the pore and to the concentration of suspended biomolecules or nanoparticles in the pore, as extensively demonstrated in a previous study. Thus, for a given pore-liquid system, the self-diffusivity of water in nanopores filled with biomolecules or nanoparticles provides an indirect measure of their concentration. Using molecular dynamics and previous results from the literature, we demonstrate the correlation between the self-diffusion coefficient of water in silica nanopores and the concentration of proteins or nanoparticles contained therein. Finally, we estimate the time required for the nanoparticles to fill the nanopores, in order to assess the practical feasibility of the overall nano-metering protocol. Results show that the proposed approach may represent an alternative method for assessing the concentration of some classes of nanopollutants or biomolecules in water.

Despite their promising thermo-physical properties for direct solar absorption, carbon-based nanocolloids present some drawbacks, among which the unpleasant property of being potentially cytotoxic and harmful to the environment. In this work, a sustainable, stable and inexpensive colloid based on coffee is synthesized and its photo-thermal properties investigated. The proposed colloid consists of distilled water, Arabica coffee, glycerol and copper sulphate, which provide enhanced properties along with biocompatibility. The photo-thermal performance of the proposed fluid for direct solar absorption is analysed for different dilutions and compared with that of a traditional flat-plate collector. Tailor-made collectors, opportunely designed and realized via 3D-printing technique, were used for the experimental tests. The results obtained in field conditions, in good agreement with two different proposed models, show similar performance of the volumetric absorption using the proposed coffee-based colloids as compared to the classical systems based on a highly-absorbing surface. These results may encourage further investigations on simple, biocompatible and inexpensive colloids for direct solar absorption.

SAPO-34 – a silicoaluminophosphate microporous material – has recently attracted a great attention in the field of sorption thermal storage, since it is characterized by good water adsorption behavior (i.e. type V adsorption isotherms) and low regeneration temperature (i.e. 80 °C, for instance available by standard solar thermal energy collectors). However, the nanoscale mechanisms of water transport and adsorption in the microporous framework of SAPO-34 cannot be fully unveiled by experiments alone. In this work, water adsorption onto SAPO-34 is for the first time studied by means of an atomistic model built upon experimental evidence. First, Monte Carlo simulations are employed to set up a convenient atomistic model of water/SAPO-34 interactions, and numerical adsorption isotherms are validated against experimental measures. Second, the validated model is used to study the water diffusion through SAPO-34 by molecular dynamics simulations, and to visualize preferential adsorption sites with atomistic detail. Such atomistic model validated against experiments may ease the investigation and in silico discovery of silicoaluminophosphates for thermal storage applications with tailored adsorption characteristics.

A modern concept for solar thermal collectors is based on volumetric absorption of sunlight, where nanoparticles suspended in liquids directly receive the incident radiation. Suspending nanoparticles in traditional fluids can drastically enhance their optical properties and improve thermo-physical performances, thus leading to highly efficient volumetric solar receivers. Several studies have been addressed on the physical understanding of such nanosuspensions; however, the relation between nanoscale effects and macroscopic properties is far from being fully understood. The present work represents a first step towards a multiscale modelling approach for relating nanoscale properties to macroscopic behaviour of nanofluids. In particular, a suitable Coarse-Grained (CG) method for nanofluids is described. By means of Molecular Dynamics (MD) simulations, the pair Potential of Mean Forces (pPMF) between CG beads of nanofluid is evaluated. A complete CG force field can be then defined by including the effects of water adsorbed at solid-liquid interface, nanoparticle surface charge and solution pH. Our multiscale model is intended to permit a future study of the complex mechanisms of nanoparticle clustering, which is known to affect nanofluids stability and properties. We hope that this multiscale approach may start the process of rational design of nanofluids thus facilitating technology transfer from lab experiments to large-scale industrial production.

3D printing, also referred to as additive manufacturing — AM in the case of metal materials, allows fabricating complex shaped parts and devices in a single step. Extreme flexibility of AM techniques could pave the way to a revolution in conceiving heat transfer devices in the near future. Along this way, we designed and fabricated by AM an innovative heat sink incorporating Pitot tubes for realizing passive heat transfer enhancement. Preliminary tests show that the proposed heat sink allows up to 98% heat transfer augmentation, as compared to conventional heat sinks. We hope that this study will help in encouraging the community to explore novel approaches thus moving towards the design of new devices fully exploiting the 3D printing flexibility in the field of thermal engineering.

We report numerical protocols for describing the water uptake process into microporous materials, with special emphasis on zeolite crystals. A better understanding and more predictive tools of the latter process are critical for a number of modern engineering applications, ranging from the optimization of loss free and compact thermal storage plants up to more efficient separation processes. Water sorption (and desorption) is indeed the key physical phenomenon to consider when designing several heat storage cycles, whereas water infiltration is to be studied when concerned with sieving through microporous materials for manufacturing selective membranes (e.g. water desalination by reverse osmosis). Despite the two quite different applications above, in this article we make an effort for illustrating a comprehensive numerical framework for predicting the engineering performances of microporous materials, based on detailed atomistic models. Thanks to the nowadays spectacular progresses in synthesizing an ever increasing number of new materials with desired properties such as zeolite with various concentrations of hydrophilic defects, we believe that the reported tools can possibly guide engineers in choosing and optimizing innovative materials for (thermal) engineering applications in the near future.

Graphene and carbon nanotubes are promising materials for nanoelectromechanical systems. Among other aspects, a proper understanding of the sliding dynamics of parallel graphene sheets or concentric nanotubes is of crucial importance for the design of nano-springs. Here, we analytically investigate the sliding dynamics between two parallel, rigid graphene sheets. In particular, the analysis focuses on configurations in which the distance between the sheets is kept constant and lower than the equilibrium interlayer spacing of graphite (unstable configurations). The aim is to understand how the interlayer force due to van der Waals interactions along the sliding direction changes with the geometrical characteristics of the configuration, namely size and interlayer spacing. Results show metastable equilibrium positions with completely faced sheets, namely a null force along the sliding direction, whereas net negative/positive forces arise when the sheets are approaching/leaving each other. This behavior resembles a molecular spring, being able to convert kinetic into potential energy (van der Waals potential), and viceversa. The amplitude of both storable energy and entrance/exit forces is found to be proportional to the sheet size, and inversely proportional to their interlayer spacing. This model could also be generalized to describe the behavior of configurations made of concentric carbon nanotubes, therefore allowing a rational design of some elements of carbon-based nanoelectromechanical systems.

© 2018 The Authors. Colloidal suspensions of nanoparticles (nanofluids) are materials of interest for thermal engineering, because their heat transfer properties are typically enhanced as compared to the base fluid one. Effective medium theory provides popular models for estimating the overall thermal conductivity of nanofluids based on their composition. In this article, the accuracy of models based on the Bruggeman approximation is assessed. The sensitivity of these models to nanoscale interfacial phenomena, such as interfacial thermal resistance (Kapitza resistance) and fluid ordering around nanoparticles (nanolayer), is considered for a case study consisting of alumina nanoparticles suspended in water. While no significant differences are noticed for various thermal conductivity profiles in the nanolayer, a good agreement with experiments is observed with Kapitza resistance ≈ 10-9 m2K/W and sub-nanometer nanolayer thickness. These results confirm the classical nature of thermal conduction in nanofluids and highlight that future studies should rather focus on a better quantification of Kapitza resistance at nanoparticle-fluid interfaces, in order to allow bottom up estimates of their effective thermal conductivity. ispartof: CASE STUDIES IN THERMAL ENGINEERING vol:12 pages:454-461 status: published

Among other applications, the study of thermal properties of large networks of carbon nanoparticles may have a critical impact in loss-free , more compact and efficient thermal storage systems, as well as thermally conducting polymeric materials for innovative low-cost heat exchangers. In this respect, here, we both review and numerically investigate the impact that nanotechnology (and in particular carbon-based nanostructures) may have in the near future. In particular, we focus on the role played by some geometrical and chemical parameters on the overall thermal transmittance of large complex networks made up of carbon nanotubes (CNTs), that can be potentially added as fillers to (thermally) low-conductive materials for enhancing the transport properties. Several configurations consisting of sole and pairs of single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs), characterized by different dimensions and number of C–O–C interlinks, are considered. Based on the results found in the literature and using focused simulations using standard approaches in Non-Equilibrium Molecular Dynamics (NEMD), we highlight the dependence on the particle diameter, length, overlap and functionalizations of both thermal conductivity and boundary resistance across CNTs, which are indeed the relevant quantities for obtaining composite materials with desired unusual thermal properties. We observe that CNTs with short overlap length and a few interlinks already show a remarkable enhancement in the overall transmittance, whereas further increase in the number of C–O–C connections only carries marginal benefits. We believe that much understanding has been gained so far in this field thanks to the work of chemists and material scientists, thus it is time to draw the attention of engineers active in the energy sector and thermal scientists on such findings. Our effort, therefore, is to gather in this article some guidelines towards innovative thermal systems that may be manufactured and employed in the near future for addressing a great challenge of our society: Storage and use of thermal energy.

Thermal storage devices are becoming crucial for the exploitation of solar energy. From the point of view of seasonal energy storage, the most promising technology is represented by adsorption thermal batteries, which allow storing energy without heat loss with time. The improvement of thermal batteries design is related to a better understating of transport phenomena occurring in the adsorption/desorption phases. In this work, we discuss an efficient computational protocol to characterize adsorbent materials, in terms of both heat and mass transfer proprieties. To this purpose, a hybrid Molecular Dynamics and Monte Carlo method is developed. The proposed model is then tested on two types of 13X zeolite, with 76 and 88 Na cations. The results obtained, such as adsorbate diffusivity, adsorption curves, and heat of adsorption are validated with the literature. Finally, in the view of a multiscale analysis of sorption thermal storage devices, the possible use of the simulation outputs as inputs of thermal fluid dynamics models of adsorbent beds is discussed.

We investigate the general dependence of the thermal transport across nanoparticle–fluid interfaces using molecular dynamics computations. We show that the thermal conductance depends strongly both on the wetting characteristics of the nanoparticle–fluid interface and on the nanoparticle size. Strong nanoparticle–fluid interactions, leading to full wetting states in the host fluid, result in high thermal conductances and efficient interfacial transport of heat. Weak interactions result in partial drying or full drying states, and low thermal conductances. The variation of the thermal conductance with particle size is found to depend on the fluid–nanoparticle interactions. Strong interactions coupled with large interfacial curvatures lead to optimum interfacial heat transport. This complex dependence can be modelled using an equation that includes the interfacial curvature as a parameter. In this way, we rationalise the existing experimental and computer simulation results and show that the thermal transport across nanoscale interfaces is determined by the correlations of both interfacial curvature and nanoparticle–fluid interactions.

Because of their high thermal conductivity, graphene nanoribbons (GNRs) can be employed as fillers to enhance the thermal transfer properties of composite materials, such as polymer-based ones. However, when the filler loading is higher than the geometric percolation threshold, the interfacial thermal resistance between adjacent GNRs may significantly limit the overall thermal transfer through a network of fillers. In this article, reverse non-equilibrium molecular dynamics is used to investigate the impact of the relative orientation (i.e., horizontal and vertical overlap, interplanar spacing and angular displacement) of couples of GNRs on their interfacial thermal resistance. Based on the simulation results, we propose an empirical correlation between the thermal resistance at the interface of adjacent GNRs and their main geometrical parameters, namely the normalized projected overlap and average interplanar spacing. The reported correlation can be beneficial for speeding up bottom-up approaches to the multiscale analysis of the thermal properties of composite materials, particularly when thermally conductive fillers create percolating pathways.

A comprehensive understanding of molecular transport within nanoporous materials remains elusive in a broad variety of engineering and biomedical applications. Here, experiments and atomistic simulations are synergically used to elucidate the non-trivial interplay between nanopore hydrophilicity and surface barriers on the overall water transport through zeolite crystals. At these nanometre-length scales, these results highlight the dominating effect of surface imperfections with reduced permeability on the overall water transport. A simple diffusion resistance model is shown to be sufficient to capture the effects of both intracrystalline and surface diffusion resistances, thus properly linking simulation to experimental evidence. This work suggests that future experimental work should focus on eliminating/overcoming these surface imperfections, which promise an order of magnitude improvement in permeability., MITOR Project, NANO-BRIDGE (PRIN 2012, grant number 2012LHPSJC), NANOSTEP (Fondazione CRT, Torino) projects, Scuola Interpolitecnica di Dottorato—SCUDO, ISCRA initiative (CINECA award), Center for Clean Water and Clean Energy at MIT and KFUPM

Iron oxide nanoparticles are formidable multifunctional systems capable of contrast enhancement in magnetic resonance imaging, guidance under remote fields, heat generation, and biodegradation. Yet, this potential is underutilized in that each function manifests at different nanoparticle sizes. Here, sub-micrometer discoidal magnetic nanoconstructs are realized by confining 5 nm ultra-small super-paramagnetic iron oxide nanoparticles (USPIOs) within two different mesoporous structures, made out of silicon and polymers. These nanoconstructs exhibit transversal relaxivities up to ≈10 times (r2≈ 835 mm-1s-1) higher than conventional USPIOs and, under external magnetic fields, collectively cooperate to amplify tumor accumulation. The boost in r2relaxivity arises from the formation of mesoscopic USPIO clusters within the porous matrix, inducing a local reduction in water molecule mobility as demonstrated via molecular dynamics simulations. The cooperative accumulation under static magnetic field derives from the large amount of iron that can be loaded per nanoconstuct (up to ≈65 fg) and the consequential generation of significant inter-particle magnetic dipole interactions. In tumor bearing mice, the silicon-based nanoconstructs provide MRI contrast enhancement at much smaller doses of iron (≈0.5 mg of Fe kg-1animal) as compared to current practice. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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)=DB[1+(DC/DB−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., A precise control of water transport in different configurations is crucial for many technological applications. Chiavazzo et al. define a dimensionless scaling parameter to fully describe the water self-diffusion coefficient in various nanoconfined geometries using molecular dynamic simulations.

Abstract Based on a recent scaling law of the water mobility under nanoconfined conditions, we envision novel strategies for precise modulation of water diffusion within membranes made of carbon nanotube arrays (CNAs). In a first approach, the water diffusion coefficient D may be tuned by finely controlling the size distribution of the pore size. In the second approach, D can be varied at will by means of externally induced electrostatic fields. Starting from the latter strategy, switchable molecular sieves are proposed, where membranes are properly designed with sieving and permeation features that can be dynamically activated/deactivated. Areas where a precise control of water transport properties is beneficial range from energy and environmental engineering up to nanomedicine.