2017/09/13 by Ahmet Uysal, William Rock, Baofu Qiao +2 · 29 citations
Chemistry · Physics and Astronomy · #Adsorption #Chemical physics #Chemistry #Computational chemistry #Crystallography #Electrochemical Analysis and Applications #Electrostatics and Colloid Interactions #Inorganic chemistry #Ion #Langmuir #Molecular dynamics #Molecule #Monolayer #Organic chemistry #Physical chemistry #Spectroscopy and Quantum Chemical Studies #cond-mat.soft
paper · pdf · open access · doi:10.1021/acs.jpcc.7b09350
published in The Journal of Physical Chemistry C 121(45), 25377-25383 (American Chemical Society)
arxiv created 2017/09/13 · openalex created_date 2017/09/25 · openalex publication_date 2017/10/27 · arxiv updated 2017/12/06 · openalex updated_date 2026/08/05
High Resolution Image Download MS PowerPoint Slide Anion exchange at positively charged interfaces plays an important role in a variety of physical and chemical processes. However, the molecular-scale details of these processes, especially with heavy and large anionic complexes, are not well-understood. We studied the adsorption of PtCl 6 2– anionic complexes to floating DPTAP monolayers in the presence of excess Cl – as a function of the bulk chlorometalate concentration. This system aims to simulate the industrial conditions for heavy metal separations with solvent extraction. In situ X-ray scattering and fluorescence measurements, which are element and depth sensitive, show that the chlorometalate ions only adsorb in the diffuse layer at lower concentrations, while they adsorb predominantly in the Stern layer at higher concentrations. The response of DPTAP molecules to the adsorbed ions is determined independently by grazing incidence X-ray diffraction and supports this picture. Molecular dynamics simulations further elucidate the nanoscale structure of the interfacial complexes. The results suggest that ion hydration and ion–ion correlations play a key role in the competitive adsorption process.