The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation

IF 6.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL Applied Surface Science Pub Date : 2024-10-13 DOI:10.1016/j.apsusc.2024.161511

Na Chen , Liwen Ma , Xiaoli Xi , Zuoren Nie

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Abstract

The adsorption and separation of tungsten and molybdenum are important for efficient recycling of W-Mo resources, which requires green and efficient adsorbents. In this paper, Chitosan (CS)-D301 material was obtained by impregnation method and was applied to adsorb and separate W and Mo in solutions. The adsorption optimization results indicated that W was adsorbed by CS-D301, the separation factor of W/Mo increased to 26.45 compared with that of CS 21.34. The desorption efficiency was still above 94 % after five adsorption–desorption cycles. FT-IR, XPS and DFT theoretical calculations indicated that the surface group N⁺-R of CS-D301 showed more affinity for W, making it easier to selectively adsorb W over Mo than CS only. N was the surface-active adsorption site, and the adsorption process belonged to chemical adsorption with an adsorption energy of Eads = −957.64 kcal/mol. CS-D301 was expected to become green adsorbent for efficient separation of W and Mo to support resource recovery, protection and sustainable development.

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壳聚糖和壳聚糖-D301对钨和钼的吸附与分离：实验和 DFT 理论计算

钨和钼的吸附与分离对于有效回收利用钨钼资源非常重要，这就需要绿色高效的吸附剂。本文采用浸渍法获得壳聚糖（CS）-D301 材料，并将其用于吸附和分离溶液中的钨和钼。吸附优化结果表明，CS-D301 能吸附 W，W/Mo 的分离因子增至 26.45，而 CS 的分离因子为 21.34。经过五个吸附-解吸循环后，解吸效率仍高于 94%。傅立叶变换红外光谱、XPS 和 DFT 理论计算表明，CS-D301 的表面基团 N+-R 对 W 具有更强的亲和力，使其比 CS 更容易选择性地吸附 W 而非 Mo。N 是表面活性吸附位点，吸附过程属于化学吸附，吸附能为 Eads = -957.64 kcal/mol。CS-D301 可望成为高效分离 W 和 Mo 的绿色吸附剂，为资源回收、保护和可持续发展提供支持。

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.