Comparative study on ionic liquids and deep eutectic solvents in the separation of fuel additive isopropyl alcohol and ethyl acetate by the experimental study and molecular simulation

非随机双液模型 离子液体 共晶体系 化学 异丙醇 萃取(化学) 分离过程 异丙基 乙酸乙酯 物理化学 热力学 色谱法 有机化学 活度系数 催化作用 物理 合金 水溶液
作者
Chao Sun,Yajuan Qu,Yasen Dai,Peizhe Cui,Yinglong Wang,Zhaoyou Zhu,Jun Gao
出处
期刊:Fuel [Elsevier]
卷期号:354: 129397-129397 被引量:5
标识
DOI:10.1016/j.fuel.2023.129397
摘要

Due to their excellent properties, ionic liquids (ILs) and deep eutectic solvents (DESs) have become the two most widely studied extractants. In this work, the separation process of EAC and IPA was systematically investigated, the suitable ILs/DESs were preliminarily screened using the COSMO model. Then, the combination mechanism of ILs/DES-IPA was elucidated through the ESP and the electron density difference analysis. The mutual penetration distances, IGMH and AIM analysis were used to analyze the extraction mechanism. The results showed that [EMim][AC] had the best extraction capacity. Subsequently, Liquid-liquid equilibrium experiments were carried out on two selected ILs and two DESs, the order of the extraction capacity was [EMim][AC] > [EMim][H2PO4] > (ChCl-EG) > (ChCl-Gly), which was consistent with the result of theoretical analysis. Moreover, the experimental data were regressed by the NRTL model, with the RMSD were all below 0.012, indicating that the NRTL model could well predict the phase behavior of the system. In addition to providing data support for the separation design of the EAC-IPA system, this work provides a basis for the selection of extractants for the low-carbon alcohol ester system.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
大幅提高文件上传限制,最高150M (2024-4-1)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
刚刚
小马甲应助大鸡炖蘑菇采纳,获得10
刚刚
李爱国应助LEON采纳,获得10
1秒前
syqlyd完成签到 ,获得积分10
1秒前
大模型应助百川采纳,获得10
1秒前
王佳豪发布了新的文献求助10
1秒前
4秒前
5秒前
橙橙橙子发布了新的文献求助10
5秒前
6秒前
6秒前
含蓄嫣然完成签到,获得积分10
9秒前
彭于晏应助三块石头采纳,获得10
10秒前
Rainbow7发布了新的文献求助10
10秒前
一击必中发布了新的文献求助10
11秒前
丘比特应助橙橙橙子采纳,获得10
11秒前
12秒前
Duke_ethan完成签到,获得积分10
12秒前
咳咳咳完成签到,获得积分10
13秒前
田様应助落雨声采纳,获得10
13秒前
13秒前
14秒前
汉堡包应助xiaowu采纳,获得30
14秒前
周婕妤发布了新的文献求助10
15秒前
15秒前
16秒前
科研通AI2S应助Sunshine采纳,获得10
16秒前
16秒前
一只胖猫发布了新的文献求助10
17秒前
今后应助guchenniub采纳,获得10
17秒前
张小咩咩完成签到 ,获得积分10
18秒前
小鱼完成签到,获得积分10
18秒前
啦啦啦完成签到,获得积分10
18秒前
打打应助周婕妤采纳,获得10
20秒前
Rainbow7完成签到,获得积分10
20秒前
开始的开始完成签到,获得积分10
20秒前
科研通AI2S应助ark861023采纳,获得10
20秒前
可怜风雨完成签到,获得积分10
20秒前
21秒前
22秒前
高分求助中
Spray / Wall-interaction Modelling by Dimensionless Data Analysis 2000
Mixed-anion Compounds 600
ALA生合成不全マウスでの糖代謝異常の分子機構解析 520
Aspects of Babylonian celestial divination: the lunar eclipse tablets of Enūma Anu Enlil 500
Geochemistry, 2nd Edition 地球化学经典教科书第二版 401
Management of cardiopulmonary bypass 400
2024 Medicinal Chemistry Reviews 400
热门求助领域 (近24小时)
化学 医学 生物 材料科学 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 基因 遗传学 催化作用 物理化学 免疫学 量子力学 细胞生物学
热门帖子
关注 科研通微信公众号,转发送积分 3199243
求助须知:如何正确求助?哪些是违规求助? 2848054
关于积分的说明 8066241
捐赠科研通 2512857
什么是DOI,文献DOI怎么找? 1344964
科研通“疑难数据库(出版商)”最低求助积分说明 639961
邀请新用户注册赠送积分活动 609663