Open Collections

Description

We review recent advances in particle simulations, continuum theory and multiscale modeling for equilibrium and transport properties of Coulomb many-body systems in soft matter and electrochemical energy devices. The properties of dielectric and correlation effects near material interfaces are discussed under image-charge based Monte Carlo simulations. These properties are also modeled by modified Poisson-Nernst-Planck/Poisson-Boltzmann equations incorporated with a Green's function governed by a generalized Debye-Hückel equation. Numerical methods for both particle simulations and continuum equations are present with a comparison to show attractive performance of the new model and numerical algorithms.