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The dielectric properties of thin films are of paramount important in a variety of technological applications, and of fundamental importance for solid state research. In spite of this, there is currently no theoretical understanding of the…

Materials Science · Physics 2024-04-02 Alessio Zaccone

Polyelectrolytes such as single and double stranded DNA and many synthetic polymers undergo two structural transitions upon increasing the concentration of multivalent salt or molecules. First, the expanded-stretched chains in low…

Soft Condensed Matter · Physics 2009-10-31 Francisco J. Solis , Monica Olvera de la Cruz

Experiments using the Surface Force Apparatus (SFA) have found anomalously long ranged charge-charge underscreening in concentrated salt solutions. Meanwhile, theory and simulations have suggested ion clustering to be the possible origin of…

Soft Condensed Matter · Physics 2024-08-13 David Ribar , Clifford E. Woodward , Sture Nordholm , Jan Forsman

When salts are added to water, the viscosity generally increases suggesting the ions increase the strength of the water's hydrogen-bond network. However, infrared pump-probe measurements on electrolyte solutions have found that ions have no…

Chemical Physics · Physics 2009-04-07 David A. Turton , Johannes Hunger , Glenn Hefter , Richard Buchner , Klaas Wynne

The diffusivity of water in aqueous cesium iodide solutions is larger than that in neat liquid water, and vice versa for sodium chloride solutions. Such peculiar ion-specific behavior, called anomalous diffusion, is not reproduced in…

Chemical Physics · Physics 2023-10-26 Nikhil V. S. Avula , Michael L. Klein , Sundaram Balasubramanian

Adding salt to water at ambient pressure affects its thermodynamic properties. At low salt concentration, anomalies such as the density maximum are shifted to lower temperature, while at large enough salt concentration they cannot be…

Water near detonation nanodiamonds (DNDs) forms a Hydrogen Bond (HB) network, whose strength influences DNDs' fluorescence intensity and colloidal stability in aqueous suspensions. However, effects of dissolved ions and DND's surface…

Computational Physics · Physics 2021-03-01 Farshad Saberi-Movahed , Donald W Brenner

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

Soft Condensed Matter · Physics 2008-12-29 Arindam Kundagrami , M. Muthukumar

Solvation of ions is ubiquitous on our planet. Solvated ions have a profound effect on the behavior of ionic solutions, which is crucial in nature and technology. Experimentally, ions have been classified into "structure makers" or…

Soft Condensed Matter · Physics 2021-07-27 Rui Shi , Anthony J. Cooper , Hajime Tanaka

We present a theoretical calculation of the changes in the Hamaker constant due to the anomalous reduction of the static dielectric function of water. Under confinement, the dielectric function of water decreases from a bulk value of 79…

Soft Condensed Matter · Physics 2020-10-21 R. Esquivel-Sirvent

Water clusters embedding a nitric acid molecule HNO3(H2O)_{n=1-10} are investigated via electrostatic deflection of a molecular beam. We observe large paraelectric susceptibilities that greatly exceed the electronic polarizability,…

Atomic and Molecular Clusters · Physics 2015-05-14 Ramiro Moro , Jonathon Heinrich , Vitaly V. Kresin

The dependence of DNA assemblies conductance on relative humidity is investigated theoretically. Following earlier suggestions, we consider the ionic conductivity through the layers of water adsorbed by DNA molecules. The increase in…

Chemical Physics · Physics 2015-05-14 J. M. Leveritt , S. Tesar , C. Dibaya , R. Shrestha , A. L. Burin

The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…

Chemical Physics · Physics 2018-09-10 Ding Pan , Marco Govoni , Giulia Galli

The dielectric spectrum of liquid water, $10^{4} - 10^{11}$ Hz, is interpreted in terms of diffusion of charges, formed as a result of self-ionization of H$_{2}$O molecules. This approach explains the Debye relaxation and the dc…

Chemical Physics · Physics 2014-04-30 A. A. Volkov , V. G. Artemov , A. V. Pronin

The surface of a polar liquid presents a special environment for the solvation and organization of charged solutes, which differ from bulk behaviors in important ways. These differences have motivated many attempts to understand…

Soft Condensed Matter · Physics 2022-06-07 Stephen J. Cox , Phillip L. Geissler

With the help of a recently developed non-equilibrium approach, we investigate the ionic strength dependence of the Hubbard--Onsager dielectric decrement. We compute the depolarization of water molecules caused by the motion of ions in…

Soft Condensed Matter · Physics 2015-06-19 Marcello Sega , Sofia Kantorovich , Axel Arnold

Soil salinization poses a significant threat to both ecosystems and agriculture because it limits plants' ability to absorb water and, in doing so, reduces crop productivity. This phenomenon alters the soil's spectral properties, creating a…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Rupasree Dey , Abdul Matin , Everett Lewark , Tanjim Bin Faruk , Andrei Bachinin , Sam Leuthold , M. Francesca Cotrufo , Shrideep Pallickara , Sangmi Lee Pallickara

There is a large body of literature investigating the static and dynamic properties of polyelectrolytes due both to their widespread application in industrial processes and their ubiquitous presence in biology. Because of their highly…

Soft Condensed Matter · Physics 2016-01-20 Florian Fahrenberger , Owen A. Hickey , Jens Smiatek , Christian Holm

A dielectric model of electrostatic solvation is applied to describe potentials of mean force in water along reaction paths for: a) formation of a sodium chloride ion pair; b) the symmetric SN2 exchange of chloride in methylchloride; and c)…

chem-ph · Physics 2008-02-03 Gregory J. Tawa , Lawrence R. Pratt

We investigated theoretically water evaporation from concentrated supramolecular mixtures, such as solutions of polymers or amphiphilic molecules, using numerical resolutions of a one dimensional model based on mass transport equations.…

Soft Condensed Matter · Physics 2017-10-25 Jean-Baptiste Salmon , Frédéric Doumenc , Béatrice Guerrier