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Conventional heat carrier liquids have demonstrated remarkable enhancement in heat and mass transfer when nanoparticles were suspended in them. These liquid-nanoparticle suspensions are now known as Nanofluids. However the relationship…

A mesoscopic theory for water-in-salt electrolytes combining density functional and field-theoretic methods is developed in order to explain the unexpectedly large period of the oscillatory decay of the disjoining pressure observed in…

Soft Condensed Matter · Physics 2021-09-29 Oksana Patsahan , Alina Ciach

We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. The phase diagram is obtained using free-energy calculations. At low temperatures, we observe…

Soft Condensed Matter · Physics 2015-05-13 N. V. Gribova , Yu. D. Fomin , Daan Frenkel , V. N. Ryzhov

Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical…

Materials Science · Physics 2015-03-17 Carles Calero , Jordi Faraudo , Marcel Aguilella-Arzo

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Janusz Szwabinski , Ralf Metzler

Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions (PDF). Recent numerical and experimental…

Soft Condensed Matter · Physics 2016-03-23 Upayan Baul , J. Maruthi Pradeep Kanth , Ramesh Anishetty , Satyavani Vemparala

Deviations from Brownian motion leading to anomalous diffusion are found in transport dynamics from quantum physics to life sciences. The characterization of anomalous diffusion from the measurement of an individual trajectory is a…

Molecular Dynamics simulations of water molecules in nanometre sized cylindrical channels connecting two reservoirs show that the permeation of water is very sensitive to the channel radius and to electric polarization of the embedding…

Soft Condensed Matter · Physics 2009-11-07 Rosalind Allen , Simone Melchionna , Jean-Pierre Hansen

A hitherto unexploited characteristic feature of emerging iontronic devices for information processing is the intrinsic mobility of the medium (water) of dissolved ions in aqueous electrolytes, which therefore not only respond to voltage…

Soft Condensed Matter · Physics 2024-04-24 A. Barnaveli , T. M. Kamsma , W. Q. Boon , R. van Roij

We present porous electrode theory for capacitive deionization (CDI) with electrodes containing nanoparticles that consist of a redox-active intercalation material. A geometry of a desalination cell is considered which consists of two…

Chemical Physics · Physics 2019-12-24 K. Singh , H. J. M. Bouwmeester , L. C. P. M de Smet , M. Z. Bazant , P. M. Biesheuvel

The calculation of the solvation properties of a single water molecule in liquid water is carried out in two ways. In the first, the water molecule is placed in a cavity and the solvent is treated as a dielectric continuum. This model is…

chem-ph · Physics 2008-02-03 Steven W. Rick , B. J. Berne

We demonstrate that 2D Fermi liquids can support peculiar excitations that are not subject to Landau's $T^2$ dissipation. The long-lived excitations relax through correlated angular dynamics involving "lock-step" angular displacements along…

Mesoscale and Nanoscale Physics · Physics 2019-10-11 Patrick Ledwith , Haoyu Guo , Leonid Levitov

Water is a notoriously difficult substance to model both accurately and efficiently. Here, we focus on descriptions with a single coarse-grained particle per molecule using the so-called Approximate Non-Conformal (ANC) and generalized…

Soft Condensed Matter · Physics 2017-10-25 Tonalli Rodríguez-López , Yuriy Khalak , Mikko Karttunen

In this study, molecular dynamic simulations are employed to investigate the nucleation of NaCl crystal in solutions. According to the simulations, the dissolved behaviors of NaCl in water are dependent on ion concentrations. With…

Chemical Physics · Physics 2018-11-29 Qiang Sun

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…

Soft Condensed Matter · Physics 2026-05-26 Minho Lee , Jinwon Park , Ji-Hyun Kim , Minhaeng Cho , Jaeyoung Sung

Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an…

Statistical Mechanics · Physics 2017-09-06 David M. Wilkins , David E. Manolopoulos , Sylvie Roke , Michele Ceriotti

The random motion of molecules in living cells has consistently been reported to deviate from standard Brownian motion, a behavior coined as ``anomalous diffusion''. Fluorescence Correlation Spectroscopy (FCS) is a powerful method to…

Quantitative Methods · Quantitative Biology 2024-07-18 Nathan Quiblier , Jan-Michael Rye , Pierre Leclerc , Henri Truong , Abdelkrim Hannou , Laurent Héliot , Hugues Berry

Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular…

Mesoscale and Nanoscale Physics · Physics 2023-06-07 Phillip Helms , Anthony R. Poggioli , David T. Limmer

Electrolyte theories enable to describe the structural and dynamical properties of simple electrolytes in solution, such as sodium chloride in water. Using these theories for aqueous solutions of charged nanoparticles is a straightforward…

Soft Condensed Matter · Physics 2020-02-03 Vincent Dahirel , Olivier Bernard , Marie Jardat

In an externally imposed electrolyte (salt) concentration gradient, charged colloids drift at speeds of order one micrometre per second. This phenomenon is known as diffusiophoresis. In systems with multiple salts and 'crossed' salt…

Soft Condensed Matter · Physics 2023-11-27 Ian Williams , Patrick B. Warren , Richard P. Sear , Joseph L. Keddie