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
XDF完成签到,获得积分20
1秒前
1秒前
1秒前
2秒前
西海岸的风完成签到 ,获得积分10
2秒前
zwj完成签到,获得积分20
3秒前
4秒前
泉水叮咚发布了新的文献求助10
4秒前
结实曼凡发布了新的文献求助10
6秒前
6秒前
完美世界应助lsx采纳,获得10
7秒前
roy完成签到,获得积分10
9秒前
10秒前
隐形的从阳完成签到 ,获得积分10
12秒前
自然刺猬完成签到,获得积分10
14秒前
14秒前
tangzelun完成签到,获得积分10
15秒前
科研通AI2S应助err0320采纳,获得10
16秒前
17秒前
PEKOEA完成签到,获得积分20
18秒前
18秒前
沉默白猫发布了新的文献求助10
19秒前
nicheng应助YUNJIE采纳,获得10
20秒前
1111发布了新的文献求助10
21秒前
21秒前
fai发布了新的文献求助10
22秒前
ww完成签到,获得积分10
22秒前
李Qq完成签到,获得积分10
24秒前
登超发布了新的文献求助10
25秒前
周胎胎完成签到,获得积分10
25秒前
迷路的小蕾完成签到,获得积分10
25秒前
Hima完成签到,获得积分10
26秒前
DukeTao完成签到,获得积分10
28秒前
华仔应助优秀的面包采纳,获得10
28秒前
28秒前
析木完成签到,获得积分10
31秒前
dandan发布了新的文献求助10
31秒前
思源应助精明芷巧采纳,获得10
32秒前
32秒前
sfzz完成签到,获得积分10
33秒前
高分求助中
Spray / Wall-interaction Modelling by Dimensionless Data Analysis 2000
Aspects of Babylonian celestial divination: the lunar eclipse tablets of Enūma Anu Enlil 500
Mathematics and Finite Element Discretizations of Incompressible Navier—Stokes Flows 500
2024 Medicinal Chemistry Reviews 400
Dictionary of socialism 350
Mixed-anion Compounds 300
Geochemistry, 2nd Edition 地球化学经典教科书第二版 300
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 3195232
求助须知:如何正确求助?哪些是违规求助? 2844065
关于积分的说明 8048467
捐赠科研通 2508574
什么是DOI,文献DOI怎么找? 1340910
科研通“疑难数据库(出版商)”最低求助积分说明 639065
邀请新用户注册赠送积分活动 608025