相关论文: Optimizing end-labeled free-solution electrophores…
We study conformational and electrophoretic properties of polyelectrolytes (PEs) in tetravalent salt solutions under the action of electric fields by means of molecular dynamics simulations. Chain conformations are found to have a sensitive…
Augmenting the dispersion of a solute species remains a challenging topic in electroosmotically-actuated flows due to the inherent plug-like feature of its velocity profile. In this study, we improvise on electrothermal flow of viscoelastic…
First-principles investigations of electron-phonon interactions (EPIs) play a crucial role in understanding a wide range of phenomena in physics and materials science. Among various approaches, the finite difference method offers a direct…
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibility, where we examined the relation between the interfacial…
The paper presents an novel electric triple layer(ETL) model as an improved model of electrical double layer(EDL) to predict electroosmosis flow rate on the electrode surface at low frequency. The predicted slip velocity based on classical…
The paper presents an novel electric triple layer(ETL) model as an improved model of electrical double layer(EDL) to predict electroosmosis flow rate on the electrode surface at low frequency. The predicted slip velocity based on classical…
We study here the microscopic deformations of elastic lamellae constituting a superhydrophobic substrate under different wetting conditions of a sessile droplet using electrowetting. The deformation profiles of the lamellae are…
We study the segmental dynamics of poly(ethylene oxide) (PEO) from microscopic simulations in the neat polymer and a polymer electrolyte (PEO/LiBF$_4$) by analyzing the normal modes. We verify the applicability of the Rouse theory,…
The industrial implementation of biofuel production from lignocellulosic biomass faces a number of economic obstacles. One of these is the cost of enzymes, typically used for cellulose hydrolysis. Nature provides some hints towards the…
An electrokinetically-driven deterministic lateral displacement (e-DLD) device is proposed for the continuous, two-dimensional fractionation of suspensions in microfluidic platforms. The suspended species are driven through an array of…
We present a lattice-Boltzmann method that can simulate the coupled hydrodynamics and electrostatics equations of motion of a two-phase fluid as a means to model electrowetting phenomena. Our method has the advantage of modelling the…
This paper discusses the elastic behavior of a single polyelectrolyte chain. A simple scaling analysis as in self avoiding walk chains are not possible, because three interplaying relevant length scales are involved, i.e., the Debye…
We develop a theoretical and computational approach to deal with systems that involve a disparate range of spatio-temporal scales, such as those comprised of colloidal particles or polymers moving in a fluidic molecular environment. Our…
We use large-scale molecular dynamics to study dynamics at the three-phase contact line in electrowetting of water and electrolytes on no-slip substrates. Under the applied electrostatic potential the line friction at the contact line is…
Two-dimensional electrophoresis is still a very valuable tool in proteomics, due to its reproducibility and its ability to analyze complete proteins. However, due to its sensitivity to dynamic range issues, its most suitable use in the…
We develop Electrochemical Mean-Field Kinetic Equations (EMFKE) to simulate electrochemical cells. We start from a microscopic lattice-gas model with charged particles, and build mean-field kinetic equations following the lines of earlier…
Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhance the performance of electrochemical devices such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Using a…
Microbial electrolysis cells (MECs) are a promising new technology for producing hydrogen cheaply, efficiently, and sustainably. However, to scale up this technology, we need a better understanding of the processes in the devices. In this…
We study the effect of electrostatic interactions on the distribution function of the end-to-end distance of a single polyelectrolyte chain in the rodlike limit. The extent to which the radial distribution function of a polyelectrolyte is…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…