Abstract
Two main approaches in particle-based simulations for modeling a charged surface are using explicit, discrete charges and continuum, uniform charges. It is well-known that these two approaches could lead to substantially distinct ionic distributions, whereas a systematic exploration of the origin is still absent. In this short communication, we calculate the electrostatic force of a single point charge above a planar substrate characterized by a surface charge density and dielectric mismatch and compare the differences in the electrostatic forces produced by discrete and continuum representations of surface charges. We demonstrate that while the model of uniform surface charges gives a rather simple picture, the model of discrete surface charges can exhibit different scenarios, depending on the respective values of ion-surface distance versus lattice spacing and a self-image interaction parameter.
Original language | English |
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Article number | 100184 |
Journal | Colloids and Interface Science Communications |
Volume | 30 |
DOIs | |
Publication status | Published - May 1 2019 |
Keywords
- Charged interface
- Continuum model
- Discrete model
- Electrostatic
- Image charge
ASJC Scopus subject areas
- Biotechnology
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Colloid and Surface Chemistry
- Materials Chemistry