Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , Beijing 100085, China.
Brook Byers Institute for Sustainable Systems and School of Civil and Environmental Engineering, Georgia Institute of Technology , 828 West Peachtree Street, Atlanta, Georgia 30332, United States.
Environ Sci Technol. 2015 Sep 15;49(18):11115-24. doi: 10.1021/acs.est.5b02903. Epub 2015 Aug 28.
Zirconium oxide (ZrO2)-carbon nanofibers (ZCN) were fabricated and batch experiments were used to determine antimonite (Sb(III)) and antimonate (Sb(V)) adsorption isotherms and kinetics. ZCN have a maximum Sb(III) and Sb(V) adsorption capacity of 70.83 and 57.17 mg/g, respectively. The adsorption process between ZCN and Sb was identified to be an exothermic and follows an ion-exchange reaction. The application of ZCN was demonstrated using tap water spiked with Sb (200 μg/L). We found that the concentration of Sb was well below the maximum contaminant level for drinking water with ZCN dosages of 2 g/L. X-ray photoelectron spectroscopy (XPS) revealed that an ionic bond of Zr-O was formed with Sb(III) and Sb(V). Based on the density functional theory (DFT) calculations, Sb(III) formed Sb-O and O-Zr bonds on the surface of the tetragonal ZrO2 (t-ZrO2) (111) plane and monoclinic ZrO2 planes (m-ZrO2) (111) plane when it adsorbs. Only an O-Zr bond was formed on the surface of t-ZrO2 (111) plane and m-ZrO2 (111) plane for Sb(V) adsorption. The adsorption energy (Ead) of Sb(III) and Sb(V) onto t-ZrO2 (111) plane were 1.13 and 6.07 eV, which were higher than that of m-ZrO2 (0.76 and 3.35 eV, respectively).
氧化锆（ZrO2）-碳纳米纤维（ZCN）被制备出来，并进行了批实验来确定亚锑酸盐（Sb(III)）和锑酸盐（Sb(V)）的吸附等温线和动力学。ZCN 对 Sb(III) 和 Sb(V) 的最大吸附容量分别为 70.83 和 57.17mg/g。ZCN 与 Sb 之间的吸附过程被确定为放热反应，并遵循离子交换反应。ZCN 的应用在自来水中加入 Sb（200μg/L）进行了演示。我们发现，当 ZCN 的剂量为 2g/L 时，Sb 的浓度远低于饮用水的最大污染物水平。X 射线光电子能谱（XPS）显示，Zr-O 形成了离子键与 Sb(III) 和 Sb(V)。基于密度泛函理论（DFT）计算，Sb(III)在四方相氧化锆（t-ZrO2）（111）面和单斜相氧化锆（m-ZrO2）（111）面上吸附时，形成了 Sb-O 和 O-Zr 键。Sb(V)吸附时，仅在 t-ZrO2（111）面和 m-ZrO2（111）面上形成 O-Zr 键。Sb(III)和 Sb(V)在 t-ZrO2（111）面上的吸附能（Ead）分别为 1.13eV 和 6.07eV，高于 m-ZrO2（0.76eV 和 3.35eV）。
