College of Engineering, Ocean University of China, 239 Song-ling Road, Qingdao 266100, Shandong, PR China.
College of Engineering, Ocean University of China, 239 Song-ling Road, Qingdao 266100, Shandong, PR China.
Bioresour Technol. 2025 Jan;416:131746. doi: 10.1016/j.biortech.2024.131746. Epub 2024 Nov 4.
This study explores the mechanisms of monomeric and competitive nutrient ion adsorption on biochar surfaces using molecular dynamics simulations and experimental data. CHO offers low-energy adsorption sites for ammoniacal nitrogen, while C-SH and C-NH facilitate adsorption for nitrate nitrogen and available phosphorus. Available potassium is primarily adsorbed near the benzene ring. Structures like CHO and CHNO contribute through physical and chemical adsorption mechanisms. The presence of mesopores enhances adsorption stability. In competitive systems, ammoniacal nitrogen adsorption remains largely unaffected by nitrate nitrogen and available phosphorus, although available potassium negatively impacts it. Nitrate nitrogen is influenced by electrostatic and intermolecular forces, and available phosphorus inhibits its adsorption, while available potassium aids nitrate nitrogen adsorption through ion reactions. This study elucidates the competitive adsorption mechanisms of biochar, providing theoretical support for industrial-scale preparation of nutrient-rich biochar.
本研究采用分子动力学模拟和实验数据，探讨了单体和竞争性营养离子在生物炭表面的吸附机制。CHO 为氨态氮提供了低能量吸附位，而 C-SH 和 C-NH 则有利于硝酸盐氮和有效磷的吸附。有效钾主要吸附在苯环附近。CHO 和 CHNO 等结构通过物理和化学吸附机制发挥作用。介孔的存在增强了吸附稳定性。在竞争体系中，尽管有效钾对氨态氮的吸附有负面影响，但硝酸盐氮和有效磷的吸附基本不受影响。硝酸盐氮受静电和分子间作用力的影响，有效磷抑制其吸附，而有效钾通过离子反应促进硝酸盐氮的吸附。本研究阐明了生物炭的竞争吸附机制，为工业规模制备富营养生物炭提供了理论支持。
