Removal of aqueous Cr(VI) by green synthesized sulfide iron nanoparticles loaded corn straw biochar: Performance, mechanism, and DFT calculations

文献类型： 外文期刊

第一作者： Rong, Kun

作者： Rong, Kun;Li, Xueping;Yang, Qian;Zhang, Zaiwang;Li, Ruimin;Zhao, Lingzi;Zheng, Huanqiang;Rong, Kun;Liu, Zhaohui;Yao, Qiang

作者机构：

关键词： Sulfide modification; Green synthesis; Biochar; DFT; Aqueous Cr(VI)

期刊名称：APPLIED SURFACE SCIENCE （ 影响因子：6.3； 五年影响因子：5.9 ）

ISSN： 0169-4332

年卷期： 2024 年 670 卷

页码：

收录情况： SCI

摘要： Sulfide Yali pear iron nanoparticles-loaded corn straw biochar (S/YP-INPs@CB) were synthesized using pear peel extract as the reductant. The synthesis method was optimized in terms of the sulfur-to-iron ratio, sulfurization time, and synthesis temperature. Characterization results reveal that, after vulcanization of the iron nanoparticles-loaded biochar, the material became coarser, and its specific surface area increased. FeS and other substances were loaded onto S/YP-INPs@CB, enhancing its ability to provide electrons. Experiments were conducted to study the effects of time, temperature, pH, initial Cr(VI) concentration, co-existing anions, and real water on the removal of Cr(VI). The results show that the optimized S/YP-INPs@CB was synthesized with a S/Fe ratio of 0.2:1, a synthesis temperature of 70 degrees C, and a sulfurization time of 60 min. At pH 5 and the temperature of 55 degrees C, the q e for Cr(VI) was 79.7 mg/g. The hexavalent chromium removal followed Langmuir and the quasisecond-order kinetics model, indicating chemical adsorption. S/YP-INPs@CB successfully removed Cr(VI) through different mechanisms such as electrostatic adsorption, reduction of Cr(VI), co-precipitation, etc . The removal process mainly occurred at the solid - liquid interface between the adsorbent and solution. DFT calculation shows that FeS had stronger electron transfer performance and greater adsorption energy for HCrO 4- and Cr 3+ , and the adsorption was more stable, so the performance of S/YP-INPs@CB to remove Cr(VI) was enhanced. This study not only presents an environmentally friendly method for the preparation of adsorbent materials but also contributes to the surface science of cleaner materials.

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