Adsorption mechanism of Cs + and Pb 2+on the N-A-S-H surface under the different Si/Al ratio and temperature
文献类型：期刊论文
| 作者 | Zhang, Wei1,2,3; Lang, Lei2,3; Chen, Xin2,3; Huang, Kang1,3; Li, Jiang-Shan2,3 |
| 刊名 | JOURNAL OF MOLECULAR LIQUIDS
 |
| 出版日期 | 2024-05-01 |
| 卷号 | 401页码:15 |
| 关键词 | Adsorption mechanism Heavy metals N-A-S-H gel Si/Al ratio Temperature |
| ISSN号 | 0167-7322 |
| DOI | 10.1016/j.molliq.2024.124558 |
| 英文摘要 | The application of low-calcium alkali-activated geopolymers has significantly enhanced the removal of Pb2+ and Cs+ from the contaminated soils and water. However, the adsorption mechanisms of Pb2+ and Cs+ infiuenced by the temperature and Si/Al at the molecular scale remain unclear, which were the two critical factors infiuencing the adsorption capacity. This study employed molecular dynamics simulation to elucidate the effects of temperature and Si/Al ratio on the adsorption mechanism and behavior of Pb2+ and Cs+ on the N-A-S-H surface. Research findings demonstrate that the adsorption of Pb2+ and Cs+ on the N-A-S-H surface is attributed to chemical adsorption. Increasing temperature can regulate the removal ratio of heavy metal ions by enhancing the quantity of cation exchange (correlation coefficient of 0.88). Temperature also infiuences the removal ratio by changing in adsorption energy, potential of mean force, and controlling the maximum adsorption capacity, hydration, and diffusion ability of the heavy metals (correlation coefficient of 0.67, 0.55, 0.6, and 0.57). While the Si/Al ratio infiuences the adsorption of heavy metals by enhancing the negative charge density of N-A-S-H gel and strengthening the interaction between heavy metals and oxygen atoms on the N-A-S-H surface (correlation coefficient of 0.96 and 0.52). Additionally, temperature exhibits a more pronounced effect on enhancing in the removal ratio of heavy metals. The heavy metal removal was maximally increased by 435 % (for Cs+) and 439 % (for Pb2+) via elevated temperature, while it was increased by 63 % (for Cs+) and 98 % (for Pb2+) via decreased Si/Al ratio. This study can not only provide a new perspective on the removal of heavy metals by N-A-S-H gel, but also can contribute to the achievement of green and sustainable development goals. |
| 资助项目 | National Natural Science Foundation of China[42177163] ; China Postdoctoral Science Foundation, China[2022M723347] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001224171400001 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.198/handle/2S6PX9GI/41347]  |
| 专题 | 中科院武汉岩土力学所 |
| 通讯作者 | Li, Jiang-Shan |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, HK PolyU Joint Lab Solid Waste Sci, IRSM, Wuhan 430071, Peoples R China 3.Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Wei,Lang, Lei,Chen, Xin,et al. Adsorption mechanism of Cs + and Pb 2+on the N-A-S-H surface under the different Si/Al ratio and temperature[J]. JOURNAL OF MOLECULAR LIQUIDS,2024,401:15. |
| APA | Zhang, Wei,Lang, Lei,Chen, Xin,Huang, Kang,&Li, Jiang-Shan.(2024).Adsorption mechanism of Cs + and Pb 2+on the N-A-S-H surface under the different Si/Al ratio and temperature.JOURNAL OF MOLECULAR LIQUIDS,401,15. |
| MLA | Zhang, Wei,et al."Adsorption mechanism of Cs + and Pb 2+on the N-A-S-H surface under the different Si/Al ratio and temperature".JOURNAL OF MOLECULAR LIQUIDS 401(2024):15. |
入库方式： OAI收割
来源：武汉岩土力学研究所
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