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Small intestinal capsule endoscopy is the mainstream method for inspecting small intestinal lesions,but a single small intestinal capsule endoscopy will produce 60,000 - 120,000 images, the majority of which are similar and have no…
In this work, a comprehensive study about the influence on shear viscosity of polyelectrolyte concentration, persistence length, salt concentration and solvent quality is reported, using numerical simulations of confined solutions under…
The distribution of ions at the air/water interface plays a decisive role in many natural processes. It is generally understood that polarizable ions with low charge density are surface-active, implying they sit on top of the water surface.…
X-ray fluorescence spectra from monovalent ions (Cs+) that accumulate from dilute solutions to form an ion-rich layer near a charged Langmuir monolayer are presented. For the salt solution without the monolayer, the fluorescence signals…
When electrolyte solutions are confined in micro- and nanochannels their conductivity is significantly different from those in a bulk phase. Here we revisit the theory of this phenomenon by focusing attention on the reduction in the ion…
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…
Understanding concentrated electrolytes requires a theory that spans local hydration and mesoscale interfacial assembly. We present an integrated workflow-SCOPE-that combines (i) enhanced sampling focused on a single Li+ ion, (ii)…
Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend themselves conveniently to studying dissolution since they…
Although electrolyte density measurements have been reported for over a century, employing them to obtain accurate partial molar volume (PMV) profiles as a function of salt concentration has remained elusive. Obtaining such curves requires…
The scaling properties of the cluster size distribution of a system of diffusing clusters is studied in terms of a simple kinetic mean field model. It is shown that a one parameter family of mathematically valid scaling solutions exists.…
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…
In the present work, we have extended a weak coupling theory [A. Bakhshandeh, A. P. dos Santos and Y. Levin Phys. Rev. Lett 107, 107801 (2011)] for systems with added 1:1 electrolyte. To study the accuracy of the developed theory, we…
We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized…
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…
Solutions of LiCl and of NaCl in ultrapure water were studied through Rayleigh/Brillouin scattering as a function of the concentration (molarity, M) of dissolved salt from 0.2M to extremely low concentration (2.10^-17 M ). The…
We investigate the thermodynamic properties of a polyelectrolyte solution in a presence of {\it multivalent} salts. The polyions are modeled as rigid cylinders with the charge distributed uniformly along the major axis. The solution,…
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the…
Conformation of single polyelectrolytes in tetravalent salt solutions is investigated under the framework of a coarse-grained model, using Langevin dynamics simulations. The chain size, studied by the radius of gyration, shows three…
Ionic liquids offer unique bulk and interfacial characteristics as battery electrolytes. Our continuum approach naturally describes the electrolyte on a macroscale. An integral formulation for the molecular repulsion,which can be…
Quantifying the critical micelle concentration (CMC) and understanding its relationship with both the intrinsic molecular structures and environmental conditions are crucial for the rational design of surfactants. Here, we develop a…