Role of confinement in water solidification under electric fields

Nie, Guo-Xi; Wang, Yu; Huang, Jiping

doi:10.1007/s11467-015-0504-y

“…A substantial electric field strength is required to induce any structural changes in water. Numerous studies using MD simulations have been reported to understand the structural behavior of water under extreme magnitudes of electric fields as high as 5 V/Å. − Applying such high electric fields in experimental setups is nearly impossible due to several constraints such as difficulty in achieving higher fields and the dielectric breakdown of water. It has been reported that the dielectric breakdown of water is on the order of 10 –3 and 10 –2 V/Å for millimeter and micrometer scale volumes of water, respectively. , This indicates that nanoconfinement of water could enhance the dielectric strength of water further; however, it is yet to be experimentally validated.…”

Section: Resultsmentioning

confidence: 99%

Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces

Alosious

¹

,

Kannam

²

,

Sathian

³

et al. 2022

View full text Add to dashboard Cite

Electrostatic interactions in nanoscale systems can influence the heat transfer mechanism and interfacial properties. This study uses molecular dynamics simulations to investigate the impact of various electrostatic interactions on the Kapitza resistance (R k ) on a hexagonal boron nitride–water system. The Kapitza resistance at hexagonal boron nitride nanotube (hBNNT)–water interface reduces with an increase in diameter of the nanotube due to more aggregation of water molecules per unit surface area. An increase in the partial charges on boron and nitride caused the reduction in R k . With the increase in partial charge, a better hydrogen bonding between hBNNT and water was observed, whereas the structure and order of the water molecules remain the same. Nevertheless, the addition of NaCl salt into water does not have any influence on interfacial thermal transport. R k remains unchanged with electrolyte concentration because the cumulative Coulombic interaction between the ions and the hBNNT is significantly less when compared with water molecules. Furthermore, the effect of electric field strength on interfacial heat transfer is also investigated by providing uniform positive and negative surface charges on the outermost hBN layers. R k is nearly independent of the practical range of applied electric fields and decreases with an increasing electric field for extreme field strengths until the electrofreezing phenomenon occurs. The ordering of water molecules toward the charged surface leads to an increase in the layering effect, causing the reduction in R k in the presence of an electric field.

show abstract

“…Numerous studies using MD simulations have been reported to understand the structural behaviour of water under extreme magnitudes of electric fields as high as 5V/Å. [65][66][67][68][69] Applying such high electric fields in experimental setups are nearly impossible due to several constraints such as difficulty in achieving higher fields and the dielectric breakdown of water. It has been reported that the dielectric breakdown of water is in the order of 10 −3 V/Å and 10 −2 V/Å for millimetre and micrometre scale volumes of water, respectively.…”

Section: Resultsmentioning

confidence: 99%

Effects of electrostatic interactions on Kapitza resistance in hexagonal boron nitride-water interfaces

Alosious,

Kannam,

Sathian

et al. 2022

Preprint

0

View full text Add to dashboard Cite

Electrostatic interactions in nanoscale systems can influence the heat transfer mechanism and interfacial properties. This study uses molecular dynamics simulations to investigate the impact of various electrostatic interactions on the Kapitza resistance (R k ) on a hexagonal boron nitride-water system. The Kapitza resistance at hexagonal boron nitride nanotube (hBNNT)-water interface reduces with an increase in diameter of the nanotube due to more aggregation of water molecules per unit surface area.An increase in the partial charges on boron and nitride caused the reduction in R k .With the increase in partial charge, a better hydrogen bonding between hBNNT and water was observed, whereas the structure and order of the water molecules remain the same. Nevertheless, the addition of NaCl salt into water does not have any influence on interfacial thermal transport. R k remains unchanged with electrolyte concentration since the cumulative Coulombic interaction between the ions, and the hBNNT is

show abstract

“…Thus, the ordering of water trapped in the polymer can be controlled by the appropriate use of both the electric field and confinement effects. 30 To deepen the fundamental understanding of the local electric field effect discussed in this study, it is necessary to further investigate the effects of the temperature as well as the graft density of polymer brushes containing noncharged chains (e.g., poly(ethylene glycol)) on the hydrogen-bonded structure of water. The variation of the local electric field effect can also be explored by anionic or zwitterionic polyelectrolyte brushes.…”

Section: ■ Conclusionmentioning

confidence: 99%

“…Figure S1 in the Supporting Information briefly describes how XES can probe the hydrogen-bonded structure of water. This study is motivated by the fact that both the confinement and electric field can change the structure of water. − The in-plane density of the polyelectrolyte brush is an important factor affecting the biofouling property, brush structure stability, and the formation of zwitterionic complexes during the swelling process . Understanding the hydrogen-bonded structure of water confined in polyelectrolyte brushes opens the possibility of controlling their functions for further applications.…”

Section: Introductionmentioning

confidence: 99%

Critical In-Plane Density of Polyelectrolyte Brush for the Ordered Hydrogen-Bonded Structure of Incorporated Water

Yamazoe

¹

,

Higaki

²

,

Inutsuka

³

et al. 2022

View full text Add to dashboard Cite

A polymer electrolyte brush is a reasonable platform to confine water molecules within a nanoscopic area to study their role in the function of interacting media because of their adjustable nanospace and charge by changing the in-plane density and side chains of the brush. Here, we demonstrate how the in-plane spacing of cationic polymer brush chains, poly[2-(methacryloyloxy)ethyltrimethylammonium chloride] (PMTAC), affects the hydrogen bond configuration of incorporated water using soft X-ray emission spectroscopy. At the critical in-plane density σ = 0.30 chains/nm2 of PMTAC, tetrahedrally coordinated water molecules started to melt into distorted or broken hydrogen-bonded configurations. Considering the charge on the quaternary ammonium cations, the electric field required to form a tetrahedrally coordinated hydrogen-bonded configuration was estimated as ∼500 kV cm–1 and is effective up to ∼1 nm from the surface of the polymer chain. These findings are useful for designing specific interface properties and the resultant surface function of polyelectrolyte-based materials.

show abstract

Role of confinement in water solidification under electric fields

Cited by 10 publications

References 55 publications

Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces

Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces

Effects of electrostatic interactions on Kapitza resistance in hexagonal boron nitride-water interfaces

Critical In-Plane Density of Polyelectrolyte Brush for the Ordered Hydrogen-Bonded Structure of Incorporated Water

Contact Info

Product

Resources

About