Thermal conductivity of confined-water in graphene nanochannels

Zhao, Zhixiang; Sun, Chengzhen; Zhou, Runfeng

doi:10.1016/j.ijheatmasstransfer.2020.119502

Cited by 37 publications

(23 citation statements)

References 36 publications

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“…For example, the thermal conductivity of the bulk water simulated in this study with the SPC/E model is 0.87 ± 0.051 W/(mK) at 300 K, while the experimental value is about 0.61 W/(mK) at the room temperature (298 K) [51,53,54]. It can be seen in the Table 2 that our results are in a good agreement with previous reported values (0.808 W/(mK) ) using the same model [55]. The correlation with the temperature has been also observed previously in other liquid systems, such as methanol [56], ethylene glycol or oil [57].…”

Section: Thermal Conductivity Temperature Dependence Of Water Confine...supporting

confidence: 91%

Thermal conductivity temperature dependence of water confined in nanoporous silicon

Wang¹,

Gonçalves²,

Lacroix³

et al. 2022

J. Phys.: Condens. Matter

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Recently, it has been shown that high density nanoconfined water was the reason of the important enhancement of the effective thermal conductivity up to a factor of 50% of a nanoporous silicon filled with water. In this work, using Molecular Dynamics simulations, we further investigate the role of the temperature T (from 285 to 360 K) on the thermal conductivity enhancement of nanohybrid porous silicon and water system. Furthermore, by studying and analysing several structural and dynamical parameters of the nanoconfined water, we give physical insights of the observed phenomena. Upon increasing the temperature of the system, the thermal conductivity of the hybrid system increases reaching a maximum for T= 300 K. With this article, we prove the existence of new heat flux channels between a solid matrix and a nanoconfined liquid, with clear signatures both in the radial distribution function, mean square displacements, water molecules orientation, hydrogen bond networks and phonon density of states.

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Section: Thermal Conductivity Temperature Dependence Of Water Confine...supporting

confidence: 91%

Thermal conductivity temperature dependence of water confined in nanoporous silicon

Wang¹,

Gonçalves²,

Lacroix³

et al. 2022

J. Phys.: Condens. Matter

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“…The study of nanoconfined fluids (fluids confined in nanoscale geometries) has developed rapidly over the past few years. For example, the thermal conductivity of nanoconfined water was found to be anisotropic 2 and when the confining walls are made of graphene oxide membranes, nanoconfined water showed remarkable fast permeation 3,4 . Recently, in a review paper Kavokine et al discuss how basic equations that govern fluid behavior in the continuum limit break down and new properties emerge in molecular-scale confinement 5 .…”

Section: Introductionmentioning

confidence: 99%

Abnormal in-plane permittivity and ferroelectricity of confined water: From sub-nanometer channels to bulk

Hamid

Jalali

Peeters

2021

The Journal of Chemical Physics

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Dielectric properties of nano-confined water are important in several areas of science, i.e. it is relevant in dielectric double layer that exist in practically all heterogeneous fluid-based system. Molecular dynamics simulations are used to predict the in-plane dielectric properties of confined water in planar channels of width ranging from sub-nanometer to bulk. Because of suppressed rotational degrees of freedom near the confining walls the dipole of the water molecules tend to be aligned parallel to the walls which results in a strongly enhanced in-plane dielectric constant (ε || ) reaching values of about 120 for channels with height 8Å< h <10 Å. With increasing width of the channel, we predict that ε || decreases nonlinearly and reaches the bulk value for h > 70Å. A stratified continuum model is proposed that reproduces the h > 10Å dependence of ε || . For sub-nanometer height channels an abnormal behaviour of ε || is found with two orders of magnitude reduction of ε || around h ∼7.5 Å which is attributed to the formation of a particular ice phase which exhibits long-time (∼ µs) stable ferroelectricity. This is of particular importance for the understanding of the influence of confined water on the functioning of biological systems.

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“…This indicates that subnanometer nanochannels have superior energy conversion performance than relatively large channels, which is consistent with the ZT values in Figure . Furthermore, the thermal conductivity of water in nanochannels can be higher than the bulk value because nanoconfinements affect the physical properties of water. , This may reduce the value of ZT because the bulk thermal conductivity is used in eq . However, even if such effects are considered, the ZT for 1.0 nm channel is still higher than 3.…”

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confidence: 99%

Size-Sensitive Thermoelectric Properties of Electrolyte-Based Nanofluidic Systems

Jin

Tao

Luo

et al. 2021

J. Phys. Chem. Lett.

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In this work, we investigate the thermoelectric properties of aqueous KCl solutions confined in graphene nanochannels through molecular dynamics simulations. The channel height H ranges from 0.7 to 7.8 nm. It is found that the Seebeck coefficient, S e , and the figure of merit, ZT, of the KCl solution are highly sensitive to H when H is small. For the nanochannel of H = 1.0 nm, S e = 30.6 mV/K and ZT = 4.6 at room temperature, which are superior to most of the solid-state thermoelectric materials. The remarkable thermoelectric properties in small channels are attributed to the flow slip at the channel walls and the mean excess enthalpy density of the solution, which is mainly from the potential energy contribution. The molecular insight promotes the applications of nanofluidic devices for thermal energy harvesting.

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Thermal conductivity of confined-water in graphene nanochannels

Cited by 37 publications

References 36 publications

Thermal conductivity temperature dependence of water confined in nanoporous silicon

Thermal conductivity temperature dependence of water confined in nanoporous silicon

Abnormal in-plane permittivity and ferroelectricity of confined water: From sub-nanometer channels to bulk

Size-Sensitive Thermoelectric Properties of Electrolyte-Based Nanofluidic Systems

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