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Microscopic Mechanism for Gradient Diffusion of Salt-Containing Droplets Induced by Electromagnetic Synergy: A Molecular Dynamics Study.

Kai GuoLing DuXiao LingYuling LüLimin HeXiaoming Luo
Published in: Langmuir : the ACS journal of surfaces and colloids (2024)
The electromagnetic synergy has been proven to be highly effective in separating oil-water emulsions. However, the dynamic impact mechanism of electromagnetic fields on the internal structure of salt droplets remains unclear. In this study, the molecular dynamics (MD) simulation was used to investigate the molecular diffusion of salt ions and water molecules, as well as the dynamic behavior of droplets under the combined influence of electromagnetic fields. The results indicate that ions accumulate in the electromagnetic synergistic field, causing the deformation amplitude of droplets to be smaller than that in a single electric field. The magnetic field affects the energy of the system, when the magnetic field strength is between 1 and 5T, the nonbonded energy significantly increases nonlinearly; when the magnetic field strength is greater than 5T, the total energy of the system significantly changes. In addition, the viscosity of the medium is significantly lower when the intensity of the magnetic and electric fields is controlled within a specific range, providing a new way to regulate the fluidity of fluids.
Keyphrases
  • molecular dynamics
  • high frequency
  • density functional theory
  • mass spectrometry
  • single molecule