title: Dynamic adsorption of catechol at the goethite/aqueous solution interface: a molecular-scale study.
abstract: Insights from molecular-level mechanisms of catechol adsorption on goethite can further our understanding of the fate and transport of hydroxyaromatic compounds in the environment. The motivation for our study is to explore the dynamic adsorption process of catechol at the goethite/aqueous interface on the molecular scale. Multiple complementary techniques including macroscopic adsorption experiments, flow-cell ATR-FTIR measurement, 2D IR correlation analysis, and quantum chemical calculations were used to study the adsorption mechanisms. Our results show that the adsorption of catechol was elevated at high pH but was not affected by ionic strength because of the formation of inner-sphere complexes. Catechol adsorbed on goethite in mononuclear monodentate and binuclear bidentate configurations in the pH range of 5 to 9. Partial mononuclear monodentate structures could be converted to binuclear bidentate complexes under basic conditions and with increasing surface coverage.
authors.affiliation: State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China.
authors.forename: Yanli
authors.initials: Y
authors.lastname: Yang
authors.forename: Wei
authors.initials: W
authors.lastname: Yan
authors.forename: Chuanyong
authors.initials: C
authors.lastname: Jing
mesh_terms: D000327:Adsorption; D002396:Catechols / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D058085:Iron Compounds / Q000737:chemistry*; D008903:Minerals / Q000737:chemistry*; D011789:Quantum Theory; D012996:Solutions; D017550:Spectroscopy, Fourier Transform Infrared; D013499:Surface Properties; D014867:Water / Q000737:chemistry
chemical_list: D002396:Catechols; D058085:Iron Compounds; D008903:Minerals; D012996:Solutions; D014867:Water; C094886:goethite; C034221:catechol