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

2021 ◽  
Vol 154 (11) ◽  
pp. 114503
Author(s):  
Ilyar Hamid ◽  
Hossein Jalali ◽  
Francois. M. Peeters ◽  
Mehdi Neek-Amal
Keyword(s):  
2011 ◽  
Vol 228-229 ◽  
pp. 1007-1011
Author(s):  
Wei Wei Zhang ◽  
Long Qiu Li ◽  
Guang Yu Zhang ◽  
Hui Juan Dong

The effect of an external magnetic field on the hydration behavior of nanoscopic n-octane plates has been extensively investigated using molecular dynamics simulation in an isothermal-isobaric ensemble. The solute plates with different intermolecular spacing have also been considered to examine the effect of the topology of hydrophobic plates on the adsorption behavior of confined water in the presence of an external magnetic field with an intensity ranging from 0.1T to 1 T. The results demonstrate that magnetic exposure decreases the density of water for the plates with intermolecular spacing of a0 = 4 and 5 Å. This suggests that the free energy barrier for evaporation can be lowered by the applied field, and the hydrophobic solutes consisting of condensed n-octane molecules are apt to aggregate in the aqueous solution. In contrast, the magnetic field improves the dissolution or wetting of solutes comprised of loosely packed n-octane plates of a0=7Å. A magnetic-field-induced adsorption-to-desorption translation, which is in agreement with the experimental results provided by Ozeki, has also been observed for the plates with intermolecular spacing of a0 = 6 Å.


2009 ◽  
Vol 113 (42) ◽  
pp. 13935-13941 ◽  
Author(s):  
Isabella Nicotera ◽  
Luigi Coppola ◽  
Cesare Oliviero Rossi ◽  
Mohamed Youssry ◽  
Giuseppe A. Ranieri

2013 ◽  
Vol 424 ◽  
pp. 20-25 ◽  
Author(s):  
Jan Swenson ◽  
Khalid Elamin ◽  
Helén Jansson ◽  
Shigeharu Kittaka

2020 ◽  
Vol 92 (10) ◽  
pp. 1563-1574
Author(s):  
Marie-Claire Bellissent-Funel

AbstractIn many relevant situations, water is not in its bulk form but instead attached to some substrates or filling some cavities. We shall call water in the latter environment confined water as opposed to bulk water. It is known that the confined water is essential for the stability and the function of biological macromolecules. In this paper, we provide a review of the experimental and computational advances over the past decades concerning the understanding of the structure and dynamics of water confined in aqueous solutions of biological relevance. Examples involving water in solution of organic solutes (cryoprotectants such as dimethylsulfoxide (DMSO), sugars such as trehalose) are provided.


MRS Advances ◽  
2016 ◽  
Vol 1 (26) ◽  
pp. 1891-1902 ◽  
Author(s):  
Francesco Mallamace ◽  
Carmelo Corsaro ◽  
Domenico Mallamace ◽  
Cirino Vasi ◽  
Sebastiano Vasi ◽  
...  

ABSTRACTWe discuss recent literature data on the relaxation times (the primary tα), viscosity, and self-diffusion in water-glycerol and water-methanol mixtures across a wide temperature range from the stable water phase to the deep supercooled regime (373–147K). In particular, to clarify the role of hydrophilicity interactions (the hydrogen bonds) and hydrophobic interactions we study the mixture in terms of the water molar fraction (XW) with fixed temperatures at 5K steps across the entire composition range, and we find a marked deviation from the ideal thermodynamic behavior of the transport functions. This deviation is strongly T and XW dependent and spans values that range from two orders of magnitude at the highest temperature to more than five in the deeply supercooled regime (more precisely, at ≃200K). We analyze these deviations in terms of how the measured values differ from ideal values and find that the hydrogen-bonding water network dominates system properties up to XW = 0.3. We also examine an Arrhenius plot of the maximum excess value (Δtα(T) vs. 1/T) and find two significant changes due to water: one at the dynamical crossover temperature (TL ≃ 225K, i.e., the locus of the Widom line), and one at T ≃ 315K (the water isothermal compressibility χT minimum).


Sign in / Sign up

Export Citation Format

Share Document