Investigation of Bio-removing Metal Ions from Wastewater--a Viewpoint of Micro Forces
Bio sorption is one of the effective methods to treat the wastewater containing heavy metal ions,especially the bio sorption using magnetotactic bio sorb ents (MTB).The interaction between metal ions and MTB were investigated using molecular dynamics simulations.A model of a bacterial cell consisting of functional groups and Fe304 was created.The principal functional groups on the MTB surface included-COOH,-P03H2and -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 (ABF) method.The adsorption of ions occurred at a distance of 5 A 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 -P03H2 and -COOH groups were found to contribute to the adsorption selectivity in the binary aqueous solutions.
Magnetotactic bacterium Biosorption Metal Ions Molecular dynamics simulation
Huaigang Cheng Huiping Song Fangqin Cheng
Institute of Resources and Environment Engineering, State Environment Protection Key Laboratory of E Institute of Resources and Environment Engineering, State Environment Protection Key Laboratory of E
国际会议
2013青岛国际脱盐大会(Qingdao International Conference 2013 on Desalination and Water Reuse)
青岛
英文
105-117
2013-06-25（万方平台首次上网日期，不代表论文的发表时间）