Electrolytes between dielectric charged surfaces: Simulations and theory
arXiv:1508.02687 · doi:10.1063/1.4921221
Abstract
We present a simulation method to study electrolyte solutions in a dielectric slab geometry using a modified 3D Ewald summation. The method is fast and easy to implement, allowing us to rapidly resum an infinite series of image charges. In the weak coupling limit, we also develop a mean-field theory which allows us to predict the ionic distribution between the dielectric charged plates. The agreement between both approaches, theoretical and simulational, is very good, validating both methods. Examples of ionic density profiles in the strong electrostatic coupling limit are also presented. Finally, we explore the confinement of charge asymmetric electrolytes between neutral surfaces.
References in corpus (3)
Cited by in corpus (14)
- Simulations of Coulomb systems with slab geometry using an efficient 3d Ewald summation method
- Charge neutrality breakdown in confined aqueous electrolytes: theory and simulation
- Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions
- Non-Reciprocal Interactions Induced by Water in Confinement
- Simulations of Polyelectrolyte Adsorption to a Dielectric Like-Charged Surface
- Interaction of Charged Colloidal Particles at the Air-Water Interface
- A fast spectral method for electrostatics in doubly-periodic slit channels
- Manipulation of confined polyelectrolyte conformations through dielectric mismatch
- HSMA: An O(N) electrostatics package implemented in LAMMPS
- Ion-mediated interactions between net-neutral slabs: Weak and strong disorder effects
- Random Batch Ewald Method for Dielectrically Confined Coulomb Systems
- Electric Fields Near Undulating Dielectric Membranes
- Ewald summation for ion-dipole mixture under dielectric confinement
- Modified Poisson-Nernst-Planck model with Coulomb and hard-sphere correlations