相关论文: Effect of Counterion Size on Polyelectrolyte Confo…
It is well established that when multivalent counterions or salts are added to a solution of highly-charged polyelectrolytes (PEs), correlation effects can cause charge inversion of the PE, leading to electrophoretic mobility (EM) reversal.…
Condensation is characterized with a single macroscopic condensate whose mass is proportional to a system size $N$. We demonstrate how important particle interactions are in condensation phenomena. We study a modified version of the…
The multiconfiguration Dirac-Hartree-Fock theory is used to calculate the 3d9 2D3/2 - 2D5/2 transition energy for Co-like ions with Z = 28-100. We investigate how electron correlation, frequency-independent and -dependent Breit…
In this study, we innovatively modeled photon-enhanced thermionic emission (PETE) devices, incorporating positive ion injection and bidirectional discharge's effects on the space charge barrier simultaneously. Compared to previous models,…
We study the electrophoretic mobility of spherical particles and the electrical conductivity in salt-free concentrated suspensions including finite ion size effects. An ideal salt-free suspension is composed of just charged colloidal…
We theoretically study the polarizability and the interactions of neutral complexes consisting of a semi-flexible polyelectrolyte adsorbed onto an oppositely charged spherical colloid. In the systems we studied, the bending energy of the…
Stretching dynamics of polymers in microfluidics is of particular interest for polymer scientists. As a charged polymer, a polyelectrolyte can be deformed from its coiled equilibrium configuration to an extended chain by applying uniform or…
This work aims to understand the recent experimental data from the STAR collaboration on the system size dependence of directed flow splitting between oppositely charged hadrons [arXiv:2412.18326]. Previously, we have studied the role of…
Solid polymer electrolytes are considered a promising alternative to traditional liquid electrolytes in energy storage applications because of their good mechanical properties, and excellent thermal and chemical stability. A gap, however,…
We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale of the hydrophobic surface and of attractive interactions on…
Polymeric materials that couple deformation and electrostatics have the potential for use in soft sensors and actuators with potential applications ranging from robotic, biomedical, energy, aerospace and automotive technologies. In contrast…
We study the properties of polyelectrolyte chains under different solvent conditions, using a variational technique. The free energy and the conformational properties of a polyelectrolyte chain are studied minimizing the free energy $F_N$,…
In detailed microcanonical analyses of densities of states obtained by extensive multicanonical Monte Carlo computer simulations, we investigate the caloric properties of conformational transitions adsorbing polymers experience near…
We study the role of collective surface excitations in the electron relaxation in small metal particles. We show that the dynamically screened electron-electron interaction in a nanoparticle contains a size-dependent correction induced by…
We present the results from an extensive atomistic molecular dynamics simulation study of poly(ethylene oxide) (PEO) doped with various amounts of lithium-bis(trifluoromethane)sulfonimide (LiTFSI) salt under the influence of external…
We investigated the fundamental electrical properties of microbubbles (MBs) that are directly encapsulated by the addition of oppositely charged polyelectrolytes (PEs). Charge-reversal of the MB-PE complex particles has been observed by the…
We utilize the self-consistent field theory to explore the mechanical and electrical properties of charged surfaces immersed in polyelectrolyte solutions that could be potentially useful for electrochemical applications. Our research…
We report a theoretical study of ion size effect on various properties in a soft nanochannel with pH-dependent charge density. We develop a free energy based mean-field theory taking into account ion size as well as pH-dependence of charged…
The transport of polyelectrolytes confined by oppositely charged surfaces and driven by a constant electric field is of interest in studies of DNA separation according to size. Using molecular dynamics simulations that include surface…
We present a systematic study of medium-induced modifications in charge-dependent jet substructure using the charge-weighted Energy-Energy Correlators (EEC) in p+p and 0-10\% central Pb+Pb collisions at a center-of-mass energy of 5.02 TeV.…