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
可一发布了新的文献求助20
1秒前
圈儿完成签到,获得积分10
4秒前
汉堡包应助一路向前采纳,获得10
5秒前
7秒前
淡淡的豁完成签到,获得积分10
7秒前
8秒前
共享精神应助清萍红檀采纳,获得10
9秒前
无语的茗茗完成签到,获得积分10
9秒前
初衷未央发布了新的文献求助10
9秒前
shelly发布了新的文献求助10
11秒前
榆木完成签到 ,获得积分10
12秒前
12秒前
13秒前
niluofan完成签到,获得积分10
13秒前
传奇3应助搞怪的不评采纳,获得10
15秒前
今夜不设防完成签到,获得积分10
15秒前
桐桐应助鲤鱼采纳,获得10
15秒前
孤单的您完成签到,获得积分10
16秒前
简单的铃铛完成签到 ,获得积分10
16秒前
17秒前
18秒前
Owen应助孤单的您采纳,获得10
19秒前
19秒前
19秒前
龙龙酱发布了新的文献求助10
19秒前
21秒前
adeno发布了新的文献求助10
22秒前
小魔笛完成签到,获得积分10
22秒前
23秒前
24秒前
秦艽发布了新的文献求助10
24秒前
vis杰完成签到,获得积分10
25秒前
wzh发布了新的文献求助10
25秒前
fst发布了新的文献求助10
26秒前
26秒前
香蕉觅云应助欣欣子采纳,获得10
27秒前
28秒前
28秒前
江辰戏发布了新的文献求助10
28秒前
28秒前
高分求助中
Spray / Wall-interaction Modelling by Dimensionless Data Analysis 2000
ALA生合成不全マウスでの糖代謝異常の分子機構解析 520
Mathematics and Finite Element Discretizations of Incompressible Navier—Stokes Flows 500
2024 Medicinal Chemistry Reviews 400
Dictionary of socialism 350
Geochemistry, 2nd Edition 地球化学经典教科书第二版 300
Idoxuridine 260
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 3193923
求助须知:如何正确求助?哪些是违规求助? 2842889
关于积分的说明 8041843
捐赠科研通 2507200
什么是DOI,文献DOI怎么找? 1339733
科研通“疑难数据库(出版商)”最低求助积分说明 638789
邀请新用户注册赠送积分活动 607628