Ultra-deep desulfurization and denitrogenation of diesel fuel by selective adsorption over three different adsorbents: A study on adsorptive selectivity and mechanism
Ultra-deep desulfurization and denitrogenation of diesel fuel by selective adsorption over three different adsorbents: A study on adsorptive selectivity and mechanism
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DOI：
10.1016/j.cattod.2005.10.017
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发表时间：
2006-01-15
期刊：
影响因子：
5.3
通讯作者：
Song, CS
中科院分区：
文献类型：
--
作者：
Kim, JH;Ma, XL;Song, CS
以模拟柴油为燃料，研究了吸附脱硫脱氮的性能。它含有硫磺。氮和芳族化合物，在三种典型的吸附剂（活性炭。活性氧化铝和镍基吸附剂）在固定床吸附系统中，基于穿透曲线检测和比较了对各种化合物的吸附容量和选择性。用半经验量子化学方法计算了吸附物的电子性质，并与它们的吸附选择性进行了比较。不同的吸附选择性与化合物的电子性质的相关性提供了新的见解的基本理解的吸附机制在不同的吸附剂。对于负载型镍吸附剂，吸附物中的杂原子与表面镍的直接相互作用起着重要的作用，活性氧化铝对镍的吸附选择性主要取决于分子间的静电势和酸碱相互作用，活性炭对含硫和含氮化合物均表现出较高的吸附容量和选择性，尤其是对含甲基取代的含硫化合物。如4，6-甲基二苯并噻吩。氢键相互作用在活性炭吸附脱硫脱氮过程中起着重要作用。不同的吸附剂可能适用于从不同的烃流中分离不同的硫化合物，（c）2005 Elsevier B. V.保留所有权利。
Adsorptive desulfurization and denitrogenation were studied using a model diesel fuel. which contains sulfur. nitrogen and aromatic compounds, over three typical adsorbents (activated carbon. activated alumina and nickel-based adsorbent) in a fixed-bed adsorption system, The adsorptive capacity and selectivity for the various compounds were examined and compared on the basis of the breakthrough curves. The electronic properties of the adsorbates were calculated by a semi-empirical quantum chemical method and compared with their adsorption selectivity. Different adsorptive selectivities in correlation with the electronic properties of the compounds provided new insight into the fundamental understanding of the adsorption mechanism over different adsorbents. For the supported nickel adsorbent, the direct interaction between the heteroatom in the adsorbates and the surface nickel plays an important role, The adsorption selectivity on the activated alumina depends dominantly on the molecular electrostatic potential and the acidic-basic interaction, The activated carbon shows higher adsorptive capacity and selectivity for both sulfur and nitrogen compounds, especially for the sulfur compounds with methyl substituents. such as 4.6-methyldibenzothiophene. Hydrogen bond interaction might play an important role in adsorptive desulfurization and denitrogenation over the activated carbon. Different adsorbents may be suitable for separating different sulfur compounds from different hydrocarbon streams, (c) 2005 Elsevier B.V. All rights reserved.