LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia, Spain.
J Hazard Mater. 2013 Aug 15;258-259:77-83. doi: 10.1016/j.jhazmat.2013.04.043. Epub 2013 May 4.
The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions.
通过用硝酸和臭氧处理一种商业活性炭，研究了活性炭的物理和化学性质对乙硫醇、二甲基硫和二甲基二硫吸附的影响。通过程序升温脱附和 X 射线光电子能谱对活性炭的化学性质进行了表征。用硝酸处理的活性炭比用臭氧氧化的材料具有更多的含氧官能团。这种富集使乙硫醇和二甲基硫的吸附容量显著提高，但对二甲基二硫的吸附容量没有提高。为了更深入地了解活性炭表面化学对挥发性硫化合物吸附的影响，使用量子化学 COSMO-RS 方法模拟了活性炭表面基团与研究的挥发性硫化合物之间的相互作用。与实验数据一致，该模型预测二甲基二硫对活性炭的亲和力更大，表面含氧官能团的加入对其没有影响。此外，该模型指出，由于氢键相互作用，在活性炭中加入羟基官能团会增加乙硫醇和二甲基硫的吸附容量。
