Dissipative particle dynamics: Effects of thermostating schemes on nano-colloid electrophoresis

Hamid Hassanzadeh Afrouzi, Abouzar Moshfegh, Mousa Farhadi and Kurosh Sedighi

Physica A: Statistical Mechanics and its Applications, 2018, vol. 497, issue C, 285-301

Abstract: A novel fully explicit approach using dissipative particle dynamics (DPD) method is introduced in the present study to model the electrophoretic transport of nano-colloids in an electrolyte solution. Slater type charge smearing function included in 3D Ewald summation method is employed to treat electrostatic interaction. Performance of various thermostats are challenged to control the system temperature and study the dynamic response of colloidal electrophoretic mobility under practical ranges of external electric field (0.0720.145v/nm) while thermal equilibrium is maintained. Reasonable agreements are achieved by benchmarking the system radial distribution function with available EW3D modellings, as well as comparing reduced mobility against conventional Smoluchowski and Hückel theories, and numerical solution of Poisson–Boltzmann equation.

Keywords: DPD; Electrophoresis; Monovalent electrolyte; Colloidal mobility; Thermostatic schemes (search for similar items in EconPapers)
Date: 2018
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Citations: View citations in EconPapers (2)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:497:y:2018:i:c:p:285-301

DOI: 10.1016/j.physa.2018.01.017

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