Ministry of Ecology and Environment, Nanjing Institute of Environmental Sciences, Nanjing 210042, China.
School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
J Colloid Interface Sci. 2021 May 15;590:601-613. doi: 10.1016/j.jcis.2021.01.077. Epub 2021 Feb 1.
The novel environment-friendly hexadecanoamide propyltrimethy lammonium chloride (NQAS16-3) surfactant with different amounts (0.2, 0.4, 0.6, 0.8, 1.0, 1.2 CEC) was firstly used to modify montmorillonite, and the obtained organomontmorillonite (N-Mt) with the amount of surfactant equal to 1.0 CEC was utilized to adsorb two β-blocker pollutants- Atenolol (ATE) and acebutolol (ACE). The experimental results indicated that the equilibrium adsorption capacity of N-Mt(the organo-montmorillonite that the amount of modifier was 1.0 CEC) for ATE and ACE was 93.47 mg/g and 84.55 mg/g, respectively, which was more than twice that of raw montmorillonite for two pollutants, the adsorption was better fitted with the pseudo-second-order model and Langmuir isotherms model, and the adsorption was the spontaneous and exothermic process. Moreover, combining with the Zeta potential values of N-Mt, and with the help of Multiwfn wave function program based on density functional theory (DFT), the electrostatic interaction and the hydrophobic partitioning between N-Mt and two pollutant molecules were verified, p-π/π interaction between NQAS16-3 and ATE (or ACE) may be contributed to the increasing adsorption capacity of N-Mt for two β-blocker pollutants. The work provided novel organomontmorillonite for the removal of non-degradable β-blocker pollutants and the insight of the adsorption mechanism from the atomic level.
新型环保十六烷基三甲基氯化铵改性有机蒙脱土（NQAS16-3），不同用量（0.2、0.4、0.6、0.8、1.0、1.2 CEC）首次用于修饰蒙脱土，得到表面活性剂用量为 1.0 CEC 的有机蒙脱土（N-Mt），用于吸附两种β-阻滞剂污染物-阿替洛尔（ATE）和醋丁洛尔（ACE）。实验结果表明，N-Mt（改性剂用量为 1.0 CEC 的有机蒙脱土）对 ATE 和 ACE 的平衡吸附容量分别为 93.47mg/g 和 84.55mg/g，是原蒙脱土对两种污染物的两倍多，吸附更符合准二级模型和 Langmuir 等温线模型，吸附是自发和放热的过程。此外，结合 N-Mt 的 Zeta 电位值，借助基于密度泛函理论（DFT）的 Multiwfn 波函数程序，验证了 N-Mt 与两种污染物分子之间的静电相互作用和疏水分配，NQAS16-3 与 ATE（或 ACE）之间的 p-π/π 相互作用可能有助于增加 N-Mt 对两种β-阻滞剂污染物的吸附能力。该工作为去除难降解β-阻滞剂污染物提供了新型有机蒙脱土，并从原子水平上深入了解了吸附机制。
