New Sorbents for Desulfurization of Liquid Fuels by π-Complexation
New Sorbents for Desulfurization of Liquid Fuels by π-Complexation
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DOI：
10.1021/ie010729w
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发表时间：
2001-11
影响因子：
4.2
通讯作者：
R. T. Yang;A. Takahashi;F. H. Yang
中科院分区：
文献类型：
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作者：
R. T. Yang;A. Takahashi;F. H. Yang
研究了CuY和AgY分子筛作为液体燃料脱硫的选择性吸附剂。以噻吩和苯为模型体系，测定了它们的汽相等温线。与NaY相比，CuY和AgY在低压下吸附了大量的噻吩和苯，这是由于与Cu+和Ag+的π络合。在阳离子基础上，Cu+比Ag+吸附更多的噻吩，例如，0.92在2 × 10-5 atm和120 °C下，分子/Cu+ vs 0.42分子/Ag+。分子轨道计算证实了π-络合作用的相对强度为噻吩>苯和Cu+ > Ag+。π-络合吸附热的实验结果与理论预测定性一致。
CuY and AgY zeolites were studied as selective sorbents for the desulfurization of liquid fuels. Thiophene and benzene were used as the model system, and vapor-phase isotherms were measured. Compared to NaY, CuY and AgY adsorbed significantly larger amounts of both thiophene and benzene at low pressures as a result of π-complexation with Cu+ and Ag+. On a per-cation basis, more thiophene was adsorbed by Cu+ than by Ag+, e.g., 0.92 molecule/Cu+ vs 0.42 molecule/Ag+ at 2 × 10-5 atm and 120 °C. Molecular orbital calculations confirmed the relative strengths of π-complexation as thiophene > benzene and Cu+ > Ag+. The experimental heats of adsorption for π-complexation are in qualitative agreement with theoretical predictions.