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• W2090056460 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." @default.
• W2090056460 created "2016-06-24" @default.
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• W2090056460 date "2006-09-09" @default.
• W2090056460 modified "2023-09-26" @default.
• W2090056460 title "Ewald Summation for Uniformly Charged Surface" @default.
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• W2090056460 doi "https://doi.org/10.1021/ct600083s" @default.
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