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Interfacial behaviours in multiphase systems containing H2 are crucial to underground H2 storage but are not well understood. Molecular dynamics simulations were conducted to study interfacial properties of the H2O+H2 and…

化学物理 · 物理学 2022-12-29 Yafan Yang , Arun Kumar Narayanan Nair , Weiwei Zhu , Shuxun Sang , Shuyu Sun

The forces of electrical imaging strongly polarize the surface of colloidal silica. I used X-ray scattering to study the adsorbed 2-nm-thick compact layer of alkali ions at the surface of concentrated solutions of 5-nm, 7-nm, and 22-nm…

软凝聚态物质 · 物理学 2007-05-23 Aleksey M. Tikhonov

In order to detect the effect of the surface charge discreteness on the properties at the solid-liquid interface, molecular dynamics simulation model taking consideration of the vibration of wall atoms was used to investigate the ion and…

化学物理 · 物理学 2016-12-20 Yinghua Qiu , Yunfei Chen

The nature of mobility of ions and water molecules in dilute aqueous solutions of electrolytes (at most fifteen water molecules per ion) is investigated. It is shown that the behavior of the mobility coefficients of water molecules and…

化学物理 · 物理学 2012-03-20 L. A. Bulavin , I. V. Zhyganiuk , M. P. Malomuzh , K. M. Pankratov

Ion hydration and interfacial water play crucial roles in numerous phenomena ranging from biological to industrial systems. Although biologically relevant (and mostly smaller) ions have been studied extensively in this context, very little…

软凝聚态物质 · 物理学 2019-01-01 William Rock , Baofu Qiao , Tiecheng Zhou , Aurora E. Clark , Ahmet Uysal

Periodic supercell models of electric double layers formed at the interface between a charged surface and an electrolyte are subject to serious finite size errors and require certain adjustments in the treatment of the long-range…

化学物理 · 物理学 2024-07-10 Thomas Sayer , Chao Zhang , Michiel Sprik

Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically,…

材料科学 · 物理学 2015-05-20 David T. Limmer , Adam P. Willard

Ionic behaviors, including ion distributions and hydration characteristics at solid-liquid interfaces, are important research interests in many important applications, such as electric double-layer capacitors and water lubrication. Here, we…

化学物理 · 物理学 2025-12-08 Bowen Ai , Zekun Gong , Long Ma , Hongwen Zhang , Tianyi Sui , Yinghua Qiu

Thermal behaviors of hydroxypropyl cellulose dilute aqueous solutions with impurities of Group~I alkali metal ions (Li, Na, K, Rb and Cs chlorides) has been studied by means of static and dynamic light scattering measurements. From the…

软凝聚态物质 · 物理学 2025-04-08 Valery I. Kovalchuk

Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecular level properties of interfacial water to markedly differ…

化学物理 · 物理学 2017-11-28 Yujin Tong , Tobias Kampfrath , R. Kramer Campen

The adsorption of anions from aqueous solution on the air/water interface controls important heterogeneous chemistry in the atmosphere and is thought to have similar physics to anion adsorption at hydrophobic interfaces more generally.…

化学物理 · 物理学 2018-05-09 Yujin Tong , Igor Ying Zhang , R. Kramer Campen

Recent advancement in quantitative liquid-jet photoelectron spectroscopy enables the accurate determination of the absolute-scale electronic energetics of liquids and species in solution. Our major objective is the determination of the…

Biological water is an ionic solution containing both monovalent and divalent ions. However, the effects of divalent ions on the dynamics of biological water remain largely unknown. Here, we investigate how the transport dynamics of water…

软凝聚态物质 · 物理学 2026-05-26 Minho Lee , Jinwon Park , Ji-Hyun Kim , Minhaeng Cho , Jaeyoung Sung

Water scarcity is a dilemma facing much of the global population. Cation intercalation desalination (CID) cells, which use intercalation host compounds (IHCs) in combination with ion-exchange membranes (IEMs), could aid in addressing this…

化学物理 · 物理学 2016-12-28 Kyle C. Smith

Interfacial polar molecules feature a strongly anisotropic response to applied electric field, favoring dipole orientations parallel to the interface. In water, in particular, this effect combines with generic orientational preferences…

软凝聚态物质 · 物理学 2017-02-08 Dusan Bratko , Christopher D. Daub , Alenka Luzar

Scanning probe microscopy (SPM) has been extensively applied to probe interfacial water in many interdisciplinary fields but the disturbance of the probes on the hydrogen-bonding structure of water has remained an intractable problem. Here…

X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a…

材料科学 · 物理学 2023-11-03 Fujie Tang , Kefeng Shi , Xifan Wu

We report our studies of the linear and nonlinear rheology of aqueous solutions of the surfactant cetyl trimethylammonium tosylate (CTAT) with varying amounts of sodium chloride (NaCl). The CTAT concentration is fixed at 42mM and the salt…

软凝聚态物质 · 物理学 2007-05-23 Ranjini Bandyopadhyay , A. K. Sood

Fabricating electrochemical energy storage devices demands significant energy for drying cell components to ensure optimal performance. The development of new, water-tolerant materials would represent a tremendous advance in cost savings…

Water mediates electrostatic interactions via the orientation of its dipoles around ions, molecules, and interfaces. This induced water polarization consequently influences multiple phenomena. In particular, water polarization modulated by…