[1]戚 律,崔 佳,徐 荣,等.COSMO-SAC法筛选环戊烷/新己烷分离萃取剂及过程模拟[J].常州大学学报(自然科学版),2021,33(05):43-49.[doi:10.3969/j.issn.2095-0411.2021.05.006]
　QI Lyu,CUI Jia,XU Rong,et al.Solvents Screening for Extractive Distillation of Cyclopentane and Neohexane Based on COSMO-SAC Model and Process Simulation[J].Journal of Changzhou University(Natural Science Edition),2021,33(05):43-49.[doi:10.3969/j.issn.2095-0411.2021.05.006]
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COSMO-SAC法筛选环戊烷/新己烷分离萃取剂及过程模拟()
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常州大学学报(自然科学版)[ISSN:2095-0411/CN:32-1822/N]

卷:
第33卷
期数:
2021年05期
页码:
43-49
栏目:
化学化工
出版日期:
2021-09-28

文章信息/Info

Title:
Solvents Screening for Extractive Distillation of Cyclopentane and Neohexane Based on COSMO-SAC Model and Process Simulation
文章编号:
2095-0411(2021)05-0043-07
作者:
戚 律1;  崔 佳2;  徐 荣1;  李进龙1;  钟 璟1
(1. 常州大学 石油化工学院, 江苏 常州 213164; 2. 中国石油天然气股份有限公司 石油化工研究院, 北京 102206)
Author(s):
QI Lyu1;  CUI Jia2;  XU Rong1;  LI Jinlong1;  ZHONG Jing1
(1. School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China; 2. Petrochemical Engineering Institute, PetroChina Co., Ltd., Beijing 102206, China)
关键词:
环戊烷;  萃取精馏;  萃取剂筛选;  COSMO-SAC模型;  流程模拟
Keywords:
cyclopentane;  extractive distillation;  solvent screening;  COSMO-SAC model;  process simulation
分类号:
TQ 013.1
DOI:
10.3969/j.issn.2095-0411.2021.05.006
文献标志码:
A
摘要:
利用COSMO-SAC溶剂化模型, 计算了无限稀释条件下, 几种常见卤代烷烃、 环烷醇对环戊烷和新己烷的分离选择性。结果表明, 三氯丙烷的表面屏蔽电荷主要在非极性区域分布, 同时具有一定的氢键供体能力, 展现出对环戊烷和新己烷较好的理论分离能力。将其COSMO-SAC模型参数带入AspenPlus软件, 对三氯丙烷萃取精馏分离环戊烷和新己烷的工艺进行了模拟。计算显示, 剂油比为13时, 两塔产品纯度均达到0.98。萃取剂进料板位置对产品纯度和精馏能耗有显著影响, 而C5, C6原料进料位置主要影响产品纯度, 物质的量回流比为9时, 环戊烷和新己烷产品纯度满足要求。通过理论计算溶剂分离选择性、 考察剂油比对相对挥发度影响规律、 工艺流程计算3个层次的研究, 发现筛选的三氯丙烷萃取分离效果优于DMF。
Abstract:
Using COSMO-SAC solvation model, the selectivity of cyclopentane and neohexane in several halo-hydrocarbon and naphthenic alcohol were predicted under infinite dilution condition. It shows that the trichloropentane gave the high selectivity for cyclopentane as the surface charge mainly distributed in non-polar region. Trichloropentane also has the ability of hydrogen bond donor. The extractive distillation of cyclopentane and neohexane using trichloropentane were simulated and optimized in AspenPlus with the COSMO-SAC parameters. It was found that the mass fraction of cyclopentane and neohexane distillates were achieved to 0.98 when the solvent/feed ratio was 13. The feed stage of entrainer has an important effect on the distillates purity and heat duty of fractionator. The molar reflux ratio of 9 was suitable for the extractive distillation. The extractive performance of trichloropentane was found superior to that of DMF based on the theoretical calculation of solvent selectivity, examination of the effects of solvent/feed ratios on relative volatility and process simulation.

参考文献/References:

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备注/Memo

备注/Memo:
收稿日期:2021-07-09。基金项目:国家自然科学基金资助项目(21878025)。作者简介:戚律(1983—), 男, 江苏泰州人, 博士, 讲师。E-mail: qilv1983@cczu.edu.cn
更新日期/Last Update: 1900-01-01