Electrostatic interactions in dissipative particle dynamics using the Ewald sums.
作者： Minerva González-Melchor , Estela Mayoral , María Eugenia Velázquez , José Alejandre
DOI: 10.1063/1.2400223
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摘要: The electrostatic interactions in dissipative particle dynamics (DPD) simulations are calculated using the standard Ewald [Ann. Phys. 64, 253 (1921)] sum method. Charge distributions on DPD particles included to prevent artificial ionic pair formation. This proposal is an alternative method that introduced recently by Groot [J. Chem. 118, 11265 (2003)] where field was solved locally a lattice. applied study bulk electrolyte and polyelectrolyte-surfactant solutions. structure of fluid analyzed through radial distribution function between charged particles. results good agreement with those reported for same systems. We also radius gyration polyelectrolyte salt solution as pH degree ionization chain. increases net charge polymer trend found static light scattering experiments polystyrene sulfonate
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