CAJ | 학술논문

以芳烃萘作为参照物，研究了超大比表面积活性炭 MSC-30对喹啉、吲哚和咔唑的吸附选择性。进一步采用3种不同的氧化改性方法对 MSC-30活性炭进行了氧化改性，考察氧化改性对活性炭吸附脱氮选择性的影响。结果表明，该活性炭及氧化改性样品选择性吸附脱氮。氧化改性后，活性炭对氮化物的选择性进一步提高，并且对氮化物的吸附量增加。通过量子化学密度泛函理论(DFT)对目标吸附质的前线轨道能量分布进行计算，结果证明，活性炭对于氮化物的吸附选择性高于对芳烃萘的选择性，这和吸附质的反应活泼顺序一致。氧化改性的活性炭，由于表面含氧基团增加，不利于吸附稳定的萘，而有利于吸附较活泼的吲哚和喹啉，尤其倾向于吸附碱性氮化物喹啉。在强氧化的活性炭样品 MSC-N 和 MSC-NS 上，喹啉的吸附量分别高达1.05和1.06mmol/g。
이방경내작위삼조물，연구료초대비표면적활성탄 MSC-30대규람、신타화잡서적흡부선택성。진일보채용3충불동적양화개성방법대 MSC-30활성탄진행료양화개성，고찰양화개성대활성탄흡부탈담선택성적영향。결과표명，해활성탄급양화개성양품선택성흡부탈담。양화개성후，활성탄대담화물적선택성진일보제고，병차대담화물적흡부량증가。통과양자화학밀도범함이론(DFT)대목표흡부질적전선궤도능량분포진행계산，결과증명，활성탄대우담화물적흡부선택성고우대방경내적선택성，저화흡부질적반응활발순서일치。양화개성적활성탄，유우표면함양기단증가，불리우흡부은정적내，이유리우흡부교활발적신타화규람，우기경향우흡부감성담화물규람。재강양화적활성탄양품 MSC-N 화 MSC-NS 상，규람적흡부량분별고체1.05화1.06mmol/g。
This work examines the adsorptive selectivity of activated carbon (AC)MSC-30 for the nitrogen com-pounds,quinoline,indole and carbazole,based on aromatic naphthalene as reference compound.Furthermore, the effects of three different oxidation modification methods on the adsorptive selectivity of AC were investiga-ted.It was found that both of original and modified ACs selectively adsorbed nitrogen compounds.Oxidation modification of AC further improved the selectivity for nitrogen compounds as well as the adsorption capacity of nitrogen compounds.The frontier orbital distribution of target adsorbates was calculated through the density functional theory (DFT)method.The results demonstrated that the higher selectivity for nitrogen compounds than that for aromatic naphthalene was consistent with the order of adsorbates'reaction activities.Moreover, due to the increased surface oxygen-containing groups on oxidized activated carbon,they weren’t beneficial to adsorb stable naphthalene,but favored adsorbing indoles and quinoline,especially tended to adsorb basic quino-line.The adsorptive capacity for quinoline on severely oxidized samples MSC-N and MSC-NS could reach 1.05 and 1.06mmol/g,respectively.