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Exploration of iodine adsorption sites on porous biochar derived from silkworm excrement through structural regulation, linear fitting, multiple linear regression analysis, and DFT calculations

文献类型： 外文期刊

作者： Li, Aishan 1 ; Li, Yukang 1 ; Wang, Xiao 1 ; Li, Suying 1 ; Chang, Jinming 1 ; Liao, Fang 1 ; Gao, Hejun 1 ; Fu, Hongquan 1 ; Zhang, Yujing 2 ; Zhang, Juan 1 ; Liao, Yunwen 1 ;

作者机构： 1.China West Normal Univ, Inst Appl Chem, Coll Chem & Chem Engn, Chem Synth & Pollut Control Key Lab Sichuan Prov, Nanchong 637000, Sichuan, Peoples R China

2.Sichuan Acad Agr Sci, Sericultural Res Inst, Nanchong 637000, Sichuan, Peoples R China

关键词： Iodine; Adsorption; Porous Biochar; Silkworm Excrement; DFT calculation

期刊名称：COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS （ 影响因子：5.4； 五年影响因子：5.2 ）

ISSN： 0927-7757

年卷期： 2025 年 720 卷

页码：

收录情况： SCI

摘要： Radioactive iodine is a significant contaminant produced in the nuclear industry, medical applications, and radioactive waste treatment processes. The adsorption method is regarded as a simple and effective approach for treating radioactive waste. By calcining phosphoric acid-modified silkworm excrement, porous carbon can be synthesized in one step, achieving an I2 adsorption capacity of 96 mg & sdot;g- 1 in a 100 mg L- 1 iodine-cyclohexane solution within 2.0 min, this material demonstrates rapid and efficient sorption. Both the Langmuir isotherm and Pseudo-second-order model indicate a single-layer and a chemical sorption mechanism for I2 on this porous carbon in the iodine-cyclohexane solution, respectively. Density functional theory (DFT) calculations and experiments have identified graphite nitrogen (NG), C-OH, and -C-P = O groups as adsorption sites on the doped-N, O, P atoms of the porous biochar. Notably, the -C-P = O group plays a dominant role in the adsorption process, as revealed by multiple linear regression (MLR) analysis. The adsorption process is exothermic and also involves the physical attachment of iodine molecules to the surface or pores of the carbon material. These findings suggest that the porous carbon derived from phosphoric acid-modified silkworm excrement holds great potential for removing radioactive iodine and provides a new perspective for the utilization of silkworm excrement waste.

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