Zhang Xiaodong, Ma Shuting, Gao Bin, Bi Fukun, Liu Qinhong, Zhao Qiangyu, Xu Jingcheng, Lu Guang, Yang Yiqiong, Wu Minghong
School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai, 200093, China; Shanghai Non-carbon Energy Conversion and Utilization Institute, Shanghai 200240, China.
School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai, 200093, China.
J Colloid Interface Sci. 2023 Dec;651:424-435. doi: 10.1016/j.jcis.2023.07.205. Epub 2023 Aug 1.
The severe hazards on ecological environment and human body caused by volatile organic compounds (VOCs) have attracted worldwide substantial attention. In this research, a series of novel modified Universitetet i Oslo-67 (UiO-67) with water resistance were prepared and characterized, which had modified by benzoic acid and dopamine hydrochloride (67-ben-DH). On this basis, the adsorption performance, adsorption kinetics, defect engineering and water resistance of adsorbent were investigated. The results indicated that the excellent pore structure and specific surface area of 67-ben-DH-6 (molar ratio of Zr to DH was 1:6) were retained while the adsorption performance and water resistance of the adsorbent were improved. Due to more defects, excellent adsorption diffusion and strong π-π interactions of 67-ben-DH-6, it performed the maximum adsorption capacity of toluene (793 mg g). Furthermore, the outstanding water resistance was attributed to the fact that N element of DH reduced the affinity of the adsorbent with water. Finally, the density functional theory (DFT) calculations showed that the adsorbent 67-ben-DH-6 had the maximum adsorption energy for toluene (-99.4 kJ mol) and the minimum adsorption energy for water (-17.8 kJ mol). Thus, the potential mechanism of 67-ben-DH for efficient toluene adsorption and water resistance was verified from a microscopic perspective.
挥发性有机化合物（VOCs）对生态环境和人体造成的严重危害已引起全球广泛关注。本研究制备并表征了一系列具有耐水性的新型改性奥斯陆大学-67（UiO-67），其通过苯甲酸和盐酸多巴胺进行改性（67-ben-DH）。在此基础上，研究了吸附剂的吸附性能、吸附动力学、缺陷工程和耐水性。结果表明，67-ben-DH-6（Zr与DH的摩尔比为1:6）保留了优异的孔结构和比表面积，同时提高了吸附剂的吸附性能和耐水性。由于67-ben-DH-6存在更多缺陷、具有优异的吸附扩散性能和较强的π-π相互作用，其对甲苯的吸附容量达到最大值（793 mg g）。此外，出色的耐水性归因于DH中的N元素降低了吸附剂与水的亲和力。最后，密度泛函理论（DFT）计算表明，吸附剂67-ben-DH-6对甲苯具有最大吸附能（-99.4 kJ mol），对水具有最小吸附能（-17.8 kJ mol）。因此，从微观角度验证了67-ben-DH高效吸附甲苯和耐水的潜在机理。
