Preparation of Ag+ modified NaY molecular sieve and its adsorption and denitrogenation properties

Q3 Energy 燃料化学学报 Pub Date : 2024-03-01 DOI:10.1016/S1872-5813(23)60386-X

Tian FU, Xin HONG, Yu TIAN, Xiaodi SUN, Jucai WANG, Ke TANG, Xiuyang LUAN

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Abstract

An AgY molecular sieve modified by Ag⁺ ion was characterized by XRD, FT-IR and N₂ adsorption and desorption and used to the adsorption denitrogenation from model fuels containing pyridine, aniline and quinoline basic nitrides. The adsorption capacity for N with the AgY molecular sieve was obviously better than that with the NaY molecular sieve. The effects of adsorption temperature and adsorption time on the adsorption capacity of three kinds of nitrides by AgY molecular sieve were investigated. The experimental results show that the adsorption capacity for N is aniline>quinoline>pyridine. To study the adsorption mechanism of AgY, the 12T cluster model of AgY molecular sieve was established by Materials Studio software and the adsorption of three kinds of nitride molecules on the AgY molecular sieve was simulated at 303, 323 and 343 K. The adsorption energy, the distance between the active center and pyridine, aniline and quinoline molecules, the frontier orbit, the isodensity distribution, the radial distribution function and other relevant parameters were calculated. The calculated results show that the adsorption of aniline by AgY molecular sieve is better than that of quinoline and pyridine, which is consistent with the experimental results. Moreover, the adsorption is mainly the chemical adsorption, and the S and W sites of AgY molecular sieve are the main adsorption sites. The results of isothermal adsorption show that the adsorption of pyridine on the AgY follows the Langmuir-Freundlich mixed adsorption model, and the adsorption of aniline and quinoline follows the Freundlich adsorption model. The results of adsorption kinetics and thermodynamics show that the adsorption of pyridine on the AgY molecular sieve conforms to the quasi-second-order kinetic model, while the adsorption of aniline and quinoline conforms to the quasi-first-order kinetic model, and all adsorption processes are spontaneous entropy increasing process.

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Ag+ 改性 NaY 分子筛的制备及其吸附和脱氮性能

通过 XRD、FT-IR 和 N2 吸附与解吸对 Ag+ 离子修饰的 AgY 分子筛进行了表征，并将其用于含有吡啶、苯胺和喹啉碱氮化物的模型燃料的吸附脱氮。AgY 分子筛对 N 的吸附能力明显优于 NaY 分子筛。研究了吸附温度和吸附时间对 AgY 分子筛吸附三种氮化物能力的影响。实验结果表明，AgY 分子筛对苯胺、喹啉、吡啶三种氮化物的吸附量最大。为研究AgY的吸附机理，利用Materials Studio软件建立了AgY分子筛的12T团簇模型，模拟了303、323和343 K三种氮化物分子在AgY分子筛上的吸附过程，计算了吸附能、活性中心与吡啶、苯胺和喹啉分子之间的距离、前沿轨道、等密度分布、径向分布函数等相关参数。计算结果表明，AgY 分子筛对苯胺的吸附效果优于对喹啉和吡啶的吸附效果，这与实验结果一致。此外，吸附主要是化学吸附，AgY 分子筛的 S 和 W 位点是主要的吸附位点。等温吸附结果表明，吡啶在 AgY 上的吸附遵循 Langmuir-Freundlich 混合吸附模型，苯胺和喹啉的吸附遵循 Freundlich 吸附模型。吸附动力学和热力学结果表明，吡啶在 AgY 分子筛上的吸附符合准二阶动力学模型，苯胺和喹啉的吸附符合准一阶动力学模型，所有吸附过程都是自发的熵增过程。

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来源期刊

燃料化学学报 Chemical Engineering-Chemical Engineering (all)

CiteScore

2.80

自引率

0.00%

发文量

5825

期刊介绍： Journal of Fuel Chemistry and Technology (Ranliao Huaxue Xuebao) is a Chinese Academy of Sciences(CAS) journal started in 1956, sponsored by the Chinese Chemical Society and the Institute of Coal Chemistry, Chinese Academy of Sciences(CAS). The journal is published bimonthly by Science Press in China and widely distributed in about 20 countries. Journal of Fuel Chemistry and Technology publishes reports of both basic and applied research in the chemistry and chemical engineering of many energy sources, including that involved in the nature, processing and utilization of coal, petroleum, oil shale, natural gas, biomass and synfuels, as well as related subjects of increasing interest such as C1 chemistry, pollutions control and new catalytic materials. Types of publications include original research articles, short communications, research notes and reviews. Both domestic and international contributors are welcome. Manuscripts written in Chinese or English will be accepted. Additional English titles, abstracts and key words should be included in Chinese manuscripts. All manuscripts are subject to critical review by the editorial committee, which is composed of about 10 foreign and 50 Chinese experts in fuel science. Journal of Fuel Chemistry and Technology has been a source of primary research work in fuel chemistry as a Chinese core scientific periodical.