Abstract
Biosorption is one of the effective methods to treat the wastewater containing heavy metal ions, especially the biosorption using magnetotactic biosorbents (MTB). The interaction between metal ions and MTB was investigated using molecular dynamics simulations. A model of a bacterial cell consisting of functional groups and Fe3O4 was created. The principal functional groups on the MTB surface included –COOH, –PO3H2, and –OH, and physical adsorption was deduced as the primary adsorption mechanism. Free energy profiles for ions approaching the bacterial cell were computed using the adaptive biasing force method. The adsorption of ions occurred at a distance of 5 Å from the MTB surficial groups. Repulsive force had to be overcome when ions approached the functional groups in the simulation. The electrostatic attraction between ions and the adsorbent promotes adsorption, while the van der Waals force hinders adsorption. The –PO3H2 and –COOH groups were found to contribute to the adsorption selectivity in the binary aqueous solutions.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.