【摘要】 目前铝电解工业上普遍使用氧化铝来吸附电解槽逸出的氟化氢，但关于吸附机理和过程尚不明确。本文介绍了国内外研究者对于氧化铝吸附氟化氢的过程以及吸附产物结构的研究现状。研究者们所采用的研究方法包括两类，一类为实验研究方法，即对氧化铝进行氟化氢吸附实验，测定吸附前后气体的体积、压强，绘制吸附等温线，测定吸附产物的热稳定性，以及使用核磁共振、红外光谱对吸附产物进行检测，来间接获得吸附结构；另一类为通过计算机基于密度泛函理论对吸附结构进行模拟计算。关于氧化铝吸附氟化氢的产物结构，研究者有2类不同的观点：(1)F原子直接吸附在氧化铝的Al原子上的Lamb模型；(2)F原子吸附在氧化铝表面羟基或水分子上的双分子层模型。计算机模拟的吸附结构也是基于这两个模型，研究者们着重于氟化氢在氧化铝表面的吸附位点和形成Al—F键及O—H…F键过程的研究。本文最后总结了两种吸附模型的异同，并对今后关于氧化铝吸附氟化氢的过程和吸附产物结构的研究重点进行了展望。更多还原

【Abstract】 At present, alumina is widely used to absorb hydrogen fluoride escaping during the aluminum electrolysis process, but the adsorption mechanism and process are not clear. This paper introduces the current research status of the adsorption process of hydrogen fluoride on alumina and the structure of the adsorption products. The research methods adopted by the researchers include two types. One is the experimental methods, including measuring the volume and pressure of hydrogen fluoride before and after the adsorption, drawing adsorption isotherms, analyzing the thermal stability of the adsorption products, and studying Nuclear Magnetic Resonance(NMR) and Infrared Radiation(IR) of the adsorption products to obtain the adsorption structure indirectly. The other is to simulate the adsorption structure by computer based on density functional theory. There are two different models of hydrogen fluoride adsorption on alumina suggested by the researchers. One is Lamb model in which F atom is directly adsorbed on Al atom of alumina. The other is a bimolecular layer model in which F atoms are adsorbed on hydroxyl or water molecules on the surface of alumina. The simulated adsorption structure is also based on these two models with focusing on the adsorption sites of hydrogen fluoride on alumina surface and the formation process of Al—F bond and O—H…F bond. Finally, the similarities and differences between the two adsorption models are summarized, and the future research direction of the adsorption process and structure of adsorbed products is prospected.更多还原