萃取精馏脱除MTBE中DMDS的分子模拟和气液相平衡研究

发布时间：2018-07-11 21:01

本文选题：甲基叔丁基醚 + 二甲基二硫醚　；参考：《石油炼制与化工》2017年04期

【摘要】：采用连续极化模型计算方法,对比研究了不同萃取剂与硫化物分子间的相互作用,在此基础上,通过Ellis平衡蒸馏实验测定模型硫化物二甲基二硫醚(DMDS)在甲基叔丁基醚(MTBE)和几种不同萃取剂中的气液相平衡数据,同时结合萃取剂基本性质,优选了MTBE萃取精馏脱硫适宜的萃取剂。量子化学计算结果表明,几种萃取剂与DMDS之间的相互作用由大到小的顺序为:二甲亚砜(DMSO)环丁砜(SULF)N,N-二甲基甲酰胺(DMF)N-甲基吡咯烷酮(NMP)二甘醇(DEG)。Ellis平衡蒸馏试验结果表明,各萃取剂对MTBE中DMDS的选择性由大到小的顺序为:DMSOSULFDMFNMPDEG,与量子化学计算结果相吻合,其中DMSO对DMDS的选择性最好,是MTBE萃取精馏脱硫适宜的萃取剂。此外,还建立了可用于预测不同剂油比下气液相平衡行为的经验关联式,为MTBE萃取精馏脱硫工艺设计及开发提供基础数据和理论依据。
[Abstract]:The interaction between different extractants and sulfides was studied by means of continuous polarization model. The vapor-liquid equilibrium data of model sulphide dimethyl disulfide (DMDS) in methyl tert Ding Ji ether and several different extractants were determined by Ellis equilibrium distillation experiment. The optimum extractant for MTBE extraction distillation desulfurization was selected. Quantum chemical calculations show that the order of interaction between several extractants and DMDS is as follows: dimethyl sulfoxide (DMSO) sulfolane (SULF) N-dimethylformamide (DMF) N-methylpyrrolidone (NMP) diethylene glycol (DEG) 路Ellis equilibrium distillation. The selectivity of each extractant to DMDS in MTBE is in the order of: DMSOSULFDMFNMPDEG, which is consistent with the quantum chemical calculation results. DMSO has the best selectivity to DMDS and is the suitable extractant for desulfurization of MTBE extractive distillation. In addition, an empirical correlation formula can be used to predict the equilibrium behavior of gas and liquid phase at different ratio of solvent to oil, which provides the basic data and theoretical basis for the design and development of MTBE extractive distillation desulfurization process.
【作者单位】：华东理工大学石油加工所;
【基金】：上海市自然科学基金项目(16ZR1408100) 中央高校基本科研业务费专项资金资助项目(22A201514010)
【分类号】：TE624.55

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