本文選題：脫硫 + 烯烴��； 參考：《化工進(jìn)展》2017年06期

【摘要】：采用離子交換法制備了CoY、CuY、NiY分子篩,并在固定床吸附器上考察了工藝條件及原料烯烴含量對改性分子篩吸附脫除二甲基二硫醚性能的影響。采用密度泛函理論計(jì)算二甲基二硫醚及異丁烯在CoY、CuY、NiY分子篩上的競爭吸附行為。最后考察了高溫水蒸氣對吸附劑的再生效果。結(jié)果表明,CoY、CuY和NiY分子篩對二甲基二硫醚的動(dòng)態(tài)飽和吸附硫容分別為47.5mg/g、36.3mg/g和40.2mg/g;其中CoY和NiY分子篩硫容量受烯烴含量的影響較大,CuY分子篩受影響較小。計(jì)算結(jié)果表明,吸附過程中S—S鍵的Mayer鍵級變化不大,烯烴中C=C鍵雙鍵性質(zhì)減弱。二甲基二硫醚在CoY、CuY和NiY分子篩上的吸附能分別為 59.5k J/mol、 22.2k J/mol和 30.4k J/mol,與實(shí)驗(yàn)數(shù)據(jù)吻合。吸附飽和后的分子篩經(jīng)160℃水蒸氣脫附60min后能夠有效再生,且多次再生后吸附劑硫容仍保持在新鮮吸附劑的97%以上。
[Abstract]:CoYCU CuY NiY molecular sieve was prepared by ion exchange method. The effects of process conditions and olefin content of raw materials on the adsorption and removal of dimethyl disulfide by modified molecular sieve were investigated on a fixed bed adsorbent.The competitive adsorption behavior of dimethyl disulfide and isobutene on CoY CuY NiY molecular sieve was calculated by density functional theory (DFT).Finally, the regeneration effect of high temperature water vapor on adsorbent was investigated.The results show that the dynamic saturated adsorption sulfur capacities for dimethyl disulfide are 47.5 mg / g 36.3 mg / g and 40.2 mg / g for CoY and NiY molecular sieves respectively, and the sulfur capacity of CoY and NiY zeolites is greatly affected by olefin content.The calculated results show that the Mayer bond order of S-S bond changes little during the adsorption process, while the double bond property of C / C bond in olefins weakens.The adsorption energies of dimethyl disulfide on CoyniCuY and NiY zeolites are 59.5 k / mol, 22.2k J/mol and 30.4kJ / mol, respectively, which are in agreement with the experimental data.The adsorbed saturated molecular sieve can be effectively regenerated after desorption of 60min by water vapor at 160 鈩，

本文編號(hào)：1754665