相关论文: Effect of Counterion Size on Polyelectrolyte Confo…
We use Metropolis Monte Carlo and umbrella sampling to calculate the free energies of interaction of two methane molecules and their charged derivatives in cylindrical water-filled pores. Confinement strongly alters the interactions between…
Analytical expressions for the binding energy of electrons and positrons in dielectric clusters, analysed in this work, neglect the elastic effects. Therefore, we present the density-functional theory for neutral liquid clusters that…
We study how varying the P \'eclet number (Pe) affects the steady state sedimentation of colloidal particles that interact through short-ranged attractions. By employing a hybrid molecular dynamics simulation method we demonstrate that the…
Confinement strongly influences electrochemical systems, where structural control has enabled advances in nanofluidics, sensing, and energy storage. In electric double-layer capacitors (EDLCs), or supercapacitors, energy density is governed…
We present an exact analytical evaluation of the two-photon exchange (TPE) correction to the elastic lepton-proton differential scattering cross section at low-energies within the framework of heavy-baryon chiral perturbation theory. Our…
The intriguing relationship between entropy and diffusion is a subject of much current interest. However, the experimentally observed unusual non-monotonic dependence of limiting ionic conductivity on inverse ion size is neither described…
The finite-size effect on the antiferromagnetic (AF) transition and electronic configuration of iron has been observed in LiFePO4. Determination of the scaling behavior of the AF transition temperature (TN) versus the particle-size…
We study the thermodynamic properties of a simple model for the possible mechanism of attraction between like charged rodlike polyions inside a polyelectrolyte solution. We consider two polyions in parallel planes, with $Z$ charges each, in…
Analytical results obtained within Landau-Ginzburg-Devonshire approach and effective media models, predict that the synergy of size effects and Vegard stresses can significantly enhance the electrocaloric cooling (up to 7 times) of the…
In charge-stabilized colloidal suspensions, highly charged macroions, dressed by strongly correlated counterions, carry an effective charge that can be substantially reduced (renormalized) from the bare charge. Interactions between dressed…
A simple model is presented to calculate the potential of mean force between a polyion and a multivalent counterion inside a polyelectrolite solution. We find that under certain conditions the electrostatic interactions can lead to a strong…
Random polyampholytes (PAs) contain positively and negatively charged monomers that are distributed randomly along the polymer chain. The interaction between charges is assumed to be given by the Debye-Huckel potential. We show that the…
Modeling ion correlations in inhomogeneous polymers and soft matters with spatially varying ionic strength or dielectric permittivity remains a great challenge. Here, we develop a new theory which systematically incorporates electrostatic…
Bismuth ferrite (BiFeO3) is one of the most promising multiferroics with a sufficiently high ferroelectric (FE) and antiferromagnetic transition temperatures, and magnetoelectric (ME) coupling coefficient at room temperature, and thus it is…
Hypotheses: To correctly predict the aggregation number and size of wormlike micelles from ionic surfactants, the molecular-thermodynamic theory has to calculate the free energy per molecule in the micelle with accuracy better than 0.01 kT,…
We study salt-induced charge overcompensation and charge inversion of flexible polyelectrolytes via computer simulations and demonstrate the importance of ion excluded volume. Reentrant condensation takes place when the ion size is…
The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here for the analysis of twisted copper wires. With a small set of physical parameters that we expect to be independent of strain rate and…
Polyelectrolyte (PE) brushes are widely used in biomaterials and nanotechnology to regulate surface properties and interactions. Here, we apply the electrostatic correlation augmented self-consistent field theory to investigate the…
We report that the sample miniaturization of first-order-phase-transition bulk systems causes a greater degree of supercooling. From a theoretical perspective, the size effects can be rationalized by considering two mechanisms: (i) the…
Polymer electrolytes (PEs) are promising candidates for use in next-generation high-voltage batteries, as they possess advantageous elastic and electrochemical properties. However, PEs still suffer from low ionic conductivity and need to be…