title: Ewald Summation for Uniformly Charged Surface.
abstract: We have developed an algorithm to calculate the long-range Coulomb interactions for the slab system with a uniformly charged surface that is periodic in two dimensions and finite extent in the third dimension. This method, which is a modification of the three-dimensional Ewald summation with a correction term, is tested via molecular dynamics simulations of the adsorption of co-ions on the charged surface. The simulation results of counterion distribution show a good agreement with theoretical prediction especially at low surface charge density. Furthermore, we compute the force exerted on the particles for different systems. The consistency of results demonstrates that the proposed algorithm is applicable to the system with a smoothly charged surface in only two dimensions and is benefited from the widely used Ewald summation method in all three dimensions.
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Joint Laboratory of Polymer Science and Materials, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, P. R. China, and Graduate University of Chinese Academy of Sciences, Beijing 100080, P. R. China.
authors.forename: Wen
authors.initials: W
authors.lastname: Yang
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Joint Laboratory of Polymer Science and Materials, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, P. R. China, and Graduate University of Chinese Academy of Sciences, Beijing 100080, P. R. China.
authors.forename: Xigao
authors.initials: X
authors.lastname: Jin
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Joint Laboratory of Polymer Science and Materials, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, P. R. China, and Graduate University of Chinese Academy of Sciences, Beijing 100080, P. R. China.
authors.forename: Qi
authors.initials: Q
authors.lastname: Liao