Influence of magnetic field on microstructural and dynamic properties of sodium, magnesium and calcium ions
(1. School of Material Science and Engineering, Harbin Institute of Technology, Harbin 150001, China;
2. School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin 150001, China)
2. School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin 150001, China)
Abstract: Molecular dynamics (MD) simulation was performed to investigate the effects of magnetic field on sodium, magnesium and calcium ions in chloride solutions. According to the research on pair correlation function gij(r), mean square displacement LMSD and diffusion coefficient D, the changes of microstructural and dynamic properties were studied. The results show that with the effect of magnetic field, the interaction between ions and water weakens, the contact ion pairs increase and the solvent separated pairs decrease. Magnetic treatment leads to an increase of diffusion coefficients of cations and a decrease of anions. The separation efficiency of brine from seawater may be improved by magnetic treatment.
Key words: magnetic field; microstructural property; dynamic property; molecular dynamics simulation