Study on separation of methanol and dimethyl carbonate azeotropic system with deep eutectic solvents
•Five choline chloride-based DESs screened by the COSMO-SAC model for DMC-MeOH separation.•VLE experiments confirm ChCl-urea DES excels in DMC-MeOH azeotrope separation.•Mechanism of DES (choline chloride-urea) formation and extraction explained using quantum chemistry.•Hydrogen bonds play a key rol...
Saved in:
Published in | Journal of molecular liquids Vol. 399; p. 124301 |
---|---|
Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
01.04.2024
|
Subjects | |
Online Access | Get full text |
Cover
Loading…
Abstract | •Five choline chloride-based DESs screened by the COSMO-SAC model for DMC-MeOH separation.•VLE experiments confirm ChCl-urea DES excels in DMC-MeOH azeotrope separation.•Mechanism of DES (choline chloride-urea) formation and extraction explained using quantum chemistry.•Hydrogen bonds play a key role in separating DMC-MeOH azeotrope.
Dimethyl carbonate (DMC) is an important diesel and gasoline additive that is also a low-toxic and environmentally friendly chemical raw material. However, it will form an azeotrope with methanol (MeOH) during the actual chemical production process. Therefore, separating high-purity DMC from the azeotrope is of significance. In extractive distillation, deep eutectic solvents (DESs) have demonstrated superior separation performance as green extractants. This study calculated the σ-profiles of DMC, MeOH, and DESs by the COSMO-SAC model to examine the most appropriate DES for the MeOH and DMC separation. Eventually, DES1(1:2 choline chloride (ChCl): malonic acid (MA)), DES2(1:2 ChCl: urea), DES3(1:2 ChCl: glycerol (G)), DES4(1:2 ChCl: ethylene glycol (EG)), DES5(1:2 ChCl: pyruvic acid (PA)) were designated as preferred extractants. The vapor pressures of five DESs at different temperatures were determined using a thermogravimetric analyzer, while their critical properties, normal boiling points, and acentric factors were predicted. The vapor–liquid equilibrium (VLE) data measured for DMC + MeOH + DESs ternary systems at 101.3 kPa showed that the addition of 15 mol % of any of the five DESs could successfully break the azeotrope and DES2 achieved a higher degree of separation in the MeOH-DMC binary azeotrope compared to the other DESs evaluated. The binary interaction parameters between MeOH/DMC and DESs were calculated through the NRTL (Non-Random Two-Liquid) model, and the fitting results were found to be consistent with the experimental data. The mechanism of the MeOH-DMC separation by DES2 was elucidated through quantum chemical (QC) calculations. The improved independent gradient model (IGMH) and the theory of atoms in molecules (AIM) demonstrated that the stronger interaction between DES2 and MeOH molecules is the key for DES2 to break the azeotrope of the system. |
---|---|
AbstractList | •Five choline chloride-based DESs screened by the COSMO-SAC model for DMC-MeOH separation.•VLE experiments confirm ChCl-urea DES excels in DMC-MeOH azeotrope separation.•Mechanism of DES (choline chloride-urea) formation and extraction explained using quantum chemistry.•Hydrogen bonds play a key role in separating DMC-MeOH azeotrope.
Dimethyl carbonate (DMC) is an important diesel and gasoline additive that is also a low-toxic and environmentally friendly chemical raw material. However, it will form an azeotrope with methanol (MeOH) during the actual chemical production process. Therefore, separating high-purity DMC from the azeotrope is of significance. In extractive distillation, deep eutectic solvents (DESs) have demonstrated superior separation performance as green extractants. This study calculated the σ-profiles of DMC, MeOH, and DESs by the COSMO-SAC model to examine the most appropriate DES for the MeOH and DMC separation. Eventually, DES1(1:2 choline chloride (ChCl): malonic acid (MA)), DES2(1:2 ChCl: urea), DES3(1:2 ChCl: glycerol (G)), DES4(1:2 ChCl: ethylene glycol (EG)), DES5(1:2 ChCl: pyruvic acid (PA)) were designated as preferred extractants. The vapor pressures of five DESs at different temperatures were determined using a thermogravimetric analyzer, while their critical properties, normal boiling points, and acentric factors were predicted. The vapor–liquid equilibrium (VLE) data measured for DMC + MeOH + DESs ternary systems at 101.3 kPa showed that the addition of 15 mol % of any of the five DESs could successfully break the azeotrope and DES2 achieved a higher degree of separation in the MeOH-DMC binary azeotrope compared to the other DESs evaluated. The binary interaction parameters between MeOH/DMC and DESs were calculated through the NRTL (Non-Random Two-Liquid) model, and the fitting results were found to be consistent with the experimental data. The mechanism of the MeOH-DMC separation by DES2 was elucidated through quantum chemical (QC) calculations. The improved independent gradient model (IGMH) and the theory of atoms in molecules (AIM) demonstrated that the stronger interaction between DES2 and MeOH molecules is the key for DES2 to break the azeotrope of the system. |
ArticleNumber | 124301 |
Author | Li, Jun Chu, Suying Li, Renting Jia, Kai Cui, Chuanxin |
Author_xml | – sequence: 1 givenname: Renting surname: Li fullname: Li, Renting – sequence: 2 givenname: Suying surname: Chu fullname: Chu, Suying – sequence: 3 givenname: Chuanxin surname: Cui fullname: Cui, Chuanxin – sequence: 4 givenname: Kai surname: Jia fullname: Jia, Kai – sequence: 5 givenname: Jun orcidid: 0000-0003-1951-1639 surname: Li fullname: Li, Jun email: lijun@upc.edu.cn |
BookMark | eNp9kMtOwzAQRS1UJNrCH7DwDyT4lTjZIKGKl1SJBbC2XGeiukrsYLtF4etJVNas5nmvZs4KLZx3gNAtJTkltLw75L3vOvuVM8JETpnghF6gJa0kzzgtywVaTmsyk5yxK7SK8UAIKYqKLFHzno7NiL3DEQYddLJT6lvcQ9pr5zusXYMbO5djh40OO-90Aqx_wKfgB2twHGOCHn_btMcNwIDhmMCkeeK7E7gUr9Flq7sIN39xjT6fHj82L9n27fl187DNDCuKlNW04JUstBCGm7qSIHegiWSs3TVCA2trAkCkrICQWvBaCGZ0adjU06KilK-ROPua4GMM0Koh2F6HUVGiZlLqoM6k1ExKnUlNsvuzDKbbThaCisaCM9DYMD2iGm__N_gFvpR3WQ |
Cites_doi | 10.1016/j.gee.2017.10.003 10.1007/s10698-012-9153-1 10.1016/j.seppur.2019.02.023 10.1016/j.fluid.2017.03.010 10.1021/j100007a062 10.1039/c4ra01081g 10.1016/j.ces.2014.04.011 10.1016/S0378-3812(00)00444-1 10.1021/ef100103z 10.1016/j.seppur.2022.120889 10.1021/acs.chemrev.8b00803 10.1016/j.jct.2015.02.003 10.1021/acs.energyfuels.7b02486 10.1016/j.cherd.2017.12.046 10.1002/aic.690210115 10.1021/acs.jced.1c00581 10.1021/acs.energyfuels.2c03681 10.1002/jcc.22885 10.1021/ie00019a030 10.1016/j.fuproc.2010.08.018 10.1016/j.molliq.2020.113524 10.1002/jcc.26068 10.1016/j.seppur.2022.122489 10.1038/s41586-019-1614-4 10.1016/j.jhazmat.2023.132017 10.1016/j.fuel.2021.122129 10.1002/anie.201207548 10.1021/ja0017864 10.1016/j.jngse.2014.06.020 10.1039/C7CP04913G 10.1016/j.cherd.2017.09.016 10.1007/s11814-020-0557-7 10.1016/j.fuel.2023.129397 10.3390/pr9101706 10.1016/0263-7855(96)00018-5 10.1016/j.seppur.2019.115817 10.1021/acs.chemrev.6b00776 10.1021/acs.chemrev.0c00385 10.1016/j.fluid.2013.05.021 10.1016/j.fluid.2014.10.044 10.1021/cr300497a 10.1021/ie901341k 10.1021/ie3034976 10.1021/ie001047w 10.1016/j.fuel.2023.129175 10.1016/j.jct.2016.10.038 10.1016/j.seppur.2022.123077 10.3390/pr9020336 10.1016/j.jct.2021.106444 10.1021/ie404410v 10.1002/aic.15247 |
ContentType | Journal Article |
Copyright | 2024 Elsevier B.V. |
Copyright_xml | – notice: 2024 Elsevier B.V. |
DBID | AAYXX CITATION |
DOI | 10.1016/j.molliq.2024.124301 |
DatabaseName | CrossRef |
DatabaseTitle | CrossRef |
DatabaseTitleList | |
DeliveryMethod | fulltext_linktorsrc |
Discipline | Chemistry Physics |
EISSN | 1873-3166 |
ExternalDocumentID | 10_1016_j_molliq_2024_124301 S016773222400357X |
GroupedDBID | --K --M -~X .~1 0R~ 1B1 1RT 1~. 1~5 4.4 457 4G. 53G 5GY 5VS 7-5 71M 8P~ 9JN AACTN AAEDT AAEDW AAIAV AAIKJ AAKOC AALRI AAOAW AAQFI AARLI AAXUO ABJNI ABMAC ABNEU ABYKQ ACDAQ ACFVG ACGFS ACRLP ADBBV ADECG ADEZE AEBSH AEKER AENEX AFKWA AFTJW AFZHZ AGHFR AGUBO AGYEJ AHHHB AIEXJ AIKHN AITUG AIVDX AJOXV AJSZI AKRWK ALMA_UNASSIGNED_HOLDINGS AMFUW AMRAJ AXJTR BKOJK BLXMC CS3 DU5 EBS EFJIC EO8 EO9 EP2 EP3 F5P FDB FIRID FLBIZ FNPLU FYGXN G-Q GBLVA IHE J1W KOM MO0 N9A O-L O9- OAUVE OGIMB OZT P-8 P-9 P2P PC. Q38 RIG RNS ROL RPZ SDF SDG SES SEW SPC SPCBC SSK SSQ SSZ T5K TN5 YK3 ZMT ~G- 29L AAQXK AAXKI AAYXX ABEFU ABFNM ABXDB ACNNM ADMUD AFFNX AFJKZ AJQLL ASPBG AVWKF AZFZN CITATION EJD FEDTE FGOYB HMU HVGLF HZ~ M36 M41 R2- SCB SCH WUQ XPP |
ID | FETCH-LOGICAL-c255t-9153875a44c3c987e7bea0722fbd4ae2f90ee0778e009439442ca6c2e07a48113 |
IEDL.DBID | AIKHN |
ISSN | 0167-7322 |
IngestDate | Thu Sep 26 16:15:43 EDT 2024 Sat Apr 13 16:38:06 EDT 2024 |
IsPeerReviewed | true |
IsScholarly | true |
Keywords | Quantum chemistry calculation Deep eutectic solvent Extractive distillation Separation of binary azeotropes |
Language | English |
LinkModel | DirectLink |
MergedId | FETCHMERGED-LOGICAL-c255t-9153875a44c3c987e7bea0722fbd4ae2f90ee0778e009439442ca6c2e07a48113 |
ORCID | 0000-0003-1951-1639 |
ParticipantIDs | crossref_primary_10_1016_j_molliq_2024_124301 elsevier_sciencedirect_doi_10_1016_j_molliq_2024_124301 |
PublicationCentury | 2000 |
PublicationDate | 2024-04-01 2024-04-00 |
PublicationDateYYYYMMDD | 2024-04-01 |
PublicationDate_xml | – month: 04 year: 2024 text: 2024-04-01 day: 01 |
PublicationDecade | 2020 |
PublicationTitle | Journal of molecular liquids |
PublicationYear | 2024 |
Publisher | Elsevier B.V |
Publisher_xml | – name: Elsevier B.V |
References | S. Kossack, K. Kraemer, R. Gani, W. Marquardt, Generating and evaluating entrainers for extractive distillation processes in a systematic synthesis framework, in: 2007 AIChE Annual Meeting, November 4, 2007, to November 9, 2007, Salt Palace Convention Center, Salt Lake City, UT. Wisniak, Ortega, Fernández (b0225) 2017; 105 Bai, Deng, Wang, Zhang, Kang, Shu (b0205) 2023; 353 Accelrys Software Inc, Materials Studio (MS) V4.3 (Version 4.3), March 25, 2022 Bai, Hua, Bai, Jing (b0245) 2021; 9 Ma, Yu, Hou, Li, Ma, Sun (b0275) 2017; 31 Lin, Sandler (b0135) 2022; 41 Souza, Silva, Martinez (b0265) 2021; 158 Wang, Ni, Huang (b0020) 2022; 309 Bai, Hua, Jing (b0240) 2021; 9 Cao, Romero, Olson, Degroote, Johnson, Kieferova, Kivlichan, Menke, Peropadre, Sawaya, Sim, Veis, AspuruGuzik (b0145) 2019; 119 Yarveicy, Ghiasi, Mohammadi (b0095) 2018; 132 Rozas, Alkorta, Elguero (b0310) 2000; 122 Wei, Wang, Zhang, Liao, Zhao, Xiao, Wei, Sun (b0030) 2013; 52 Mulyono, Hizaddin, Alnashef, Hashim, Fakeeha, Hadj-Kali (b0075) 2014; 4 Yarveicy, Moghaddam, Ghiasi (b0105) 2014; 20 Humphrey, Dalke, Schulten (b0215) 1996; 14 Klamt, Jonas, Burger, Lohrenz (b0130) 1998; 102 Abrams, Prausnitz (b0115) 2010; 21 Xiong, Sandler, Burnett (b0140) 2014; 53 Katalin (b0045) 2000 Qi, Qu, Zhou, Su, Zhang, Wei, Xue, Zhu, Meng, Wang (b0305) 2023; 305 Zhang, Wen, Zhou, Wang, Cheng (b0295) 2023; 458 Jiang, Zeng, Xue, Zhang, Zhou (b0300) 2020; 37 Lyu, Zhou, Chen, Ye, Kai, Qi (b0090) 2014; 113 M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. Marenich, J. Bloino, B.G. Janesko, R. Gomperts, B. Mennucci, H.P. Hratchian, J.V. Ortiz, A.F. Izmaylov, J.L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V.G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, J.M. Millam, M. Klene, C. Adamo, R. Cammi, J.W. Ochterski, R.L. Martin, K. Morokuma, O. Farkas, J.B. Foresman, D.J. Fox, Gaussian 09W, revision D. 01, Gaussian Inc.: Wallingford CT, accessed June 12, 2021 Zhang, Zhao, Ren, Hou, Wu (b0050) 2022 Hu, Cheng (b0120) 2017; 127 Rounce, Tsolakis, Leung, York (b0015) 2010; 24 . Argüello-Luengo, Gonzalez-Tudela, Shi, Zoller, Cirac (b0150) 2019; 574 T. Lu, Molclus program, V 1.10 (Version 1.10), accessed May 25, 2022 Zhu, Cai, Zhou, Sun, Xu (b0040) 2023; 309 Fang, Zhao, Su, Li, Liu, Li (b0110) 2016; 62 Ma, Shang, Li, Li, Sun, Yang, Sun (b0100) 2018; 63 Sun, Qu, Cui, Wang (b0195) 2023; 354 Li, Zhang, Jiang, Zhu, Zhang, Wang, Pang, Li (b0285) 2019; 4 Rodríguez, González, Tijssen, Kroon (b0255) 2015; 385 Lu, Chen (b0155) 2022; 43 An, Chen, Lia, Li, Jin, Li, An, Liu (b0025) 2022; 292 Khodabakhshitabar, Bakhshi, Rahimnejad (b0080) 2021; 66 Hansen, Spittle, Chen, Poe, Zhang, Klein, Horton, Adhikari, Zelovich, Doherty, Gurkan, Maginn, Ragauskas, Dadmun, Zawodzinski, Baker, Tuckerman, Savinell, Sangoro (b0065) 2020; 121 Anantharaj, Banerjee (b0270) 2010; 49 Lei, Dai, Chen (b0180) 2014; 114 Číhal, Vopička, Tereza-Markéta Durďáková, Budd, Harrison (b0035) 2019; 217 Yang, Sun, Shi, Xu, Ren, Shen (b0010) 2019; 229 Dong, Liu, Dong, Zhang, Zhang (b0175) 2017; 117 Esfahani, Khoshsima, Pazuki (b0070) 2020; 313 Lu, Chen (b0210) 2012; 33 Cai, Wu, Chen, Chen, Asumana, Haque, Yu (b0235) 2013; 352 Goerigk, Hansen, Bauer, Ehrlich, Grimme (b0290) 2017; 19 Rodriguez, Kroon (b0250) 2015; 85 Bader, Matta (b0160) 2013; 15 Luo, Xiao, Zhu (b0220) 2000; 175 Zhang, Xu, Zhang, Zhang, Li, Li (b0005) 2017; 435 Cheng, Ma, Zhang, Liu (b0055) 2021; 30 Wu, Shi, Yu, Li, Zhou, Ren (b0085) 2023; 37 Emamian, Lu, Kruse, Emamian (b0315) 2019; 40 M.F. Chérif, B.J. Russell, The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design, second ed., Wiley, Weinheim, 2007, Reference to a chapter in an edited book. Francisco, van den Bruinhorst, Kroon (b0060) 2013; 52 Klamt (b0125) 1995; 99 Wisniak (b0230) 1993; 32 Anantharaj, Banerjee (b0280) 2011; 92 Peng, Lu, Liu, Zhu (b0260) 2017; 448 Lin (10.1016/j.molliq.2024.124301_b0135) 2022; 41 Zhang (10.1016/j.molliq.2024.124301_b0005) 2017; 435 Argüello-Luengo (10.1016/j.molliq.2024.124301_b0150) 2019; 574 Lu (10.1016/j.molliq.2024.124301_b0210) 2012; 33 Klamt (10.1016/j.molliq.2024.124301_b0125) 1995; 99 Cai (10.1016/j.molliq.2024.124301_b0235) 2013; 352 10.1016/j.molliq.2024.124301_b0190 Rounce (10.1016/j.molliq.2024.124301_b0015) 2010; 24 Francisco (10.1016/j.molliq.2024.124301_b0060) 2013; 52 Rodriguez (10.1016/j.molliq.2024.124301_b0250) 2015; 85 Yang (10.1016/j.molliq.2024.124301_b0010) 2019; 229 Xiong (10.1016/j.molliq.2024.124301_b0140) 2014; 53 Souza (10.1016/j.molliq.2024.124301_b0265) 2021; 158 Bai (10.1016/j.molliq.2024.124301_b0205) 2023; 353 Ma (10.1016/j.molliq.2024.124301_b0100) 2018; 63 Lu (10.1016/j.molliq.2024.124301_b0155) 2022; 43 Wang (10.1016/j.molliq.2024.124301_b0020) 2022; 309 Yarveicy (10.1016/j.molliq.2024.124301_b0095) 2018; 132 An (10.1016/j.molliq.2024.124301_b0025) 2022; 292 10.1016/j.molliq.2024.124301_b0165 Qi (10.1016/j.molliq.2024.124301_b0305) 2023; 305 Yarveicy (10.1016/j.molliq.2024.124301_b0105) 2014; 20 Abrams (10.1016/j.molliq.2024.124301_b0115) 2010; 21 Sun (10.1016/j.molliq.2024.124301_b0195) 2023; 354 Ma (10.1016/j.molliq.2024.124301_b0275) 2017; 31 Khodabakhshitabar (10.1016/j.molliq.2024.124301_b0080) 2021; 66 Goerigk (10.1016/j.molliq.2024.124301_b0290) 2017; 19 Číhal (10.1016/j.molliq.2024.124301_b0035) 2019; 217 Anantharaj (10.1016/j.molliq.2024.124301_b0270) 2010; 49 10.1016/j.molliq.2024.124301_b0200 Bader (10.1016/j.molliq.2024.124301_b0160) 2013; 15 Cao (10.1016/j.molliq.2024.124301_b0145) 2019; 119 Esfahani (10.1016/j.molliq.2024.124301_b0070) 2020; 313 10.1016/j.molliq.2024.124301_b0170 Luo (10.1016/j.molliq.2024.124301_b0220) 2000; 175 Lei (10.1016/j.molliq.2024.124301_b0180) 2014; 114 Peng (10.1016/j.molliq.2024.124301_b0260) 2017; 448 Emamian (10.1016/j.molliq.2024.124301_b0315) 2019; 40 Wisniak (10.1016/j.molliq.2024.124301_b0225) 2017; 105 Cheng (10.1016/j.molliq.2024.124301_b0055) 2021; 30 Wu (10.1016/j.molliq.2024.124301_b0085) 2023; 37 Dong (10.1016/j.molliq.2024.124301_b0175) 2017; 117 Zhu (10.1016/j.molliq.2024.124301_b0040) 2023; 309 Rodríguez (10.1016/j.molliq.2024.124301_b0255) 2015; 385 Humphrey (10.1016/j.molliq.2024.124301_b0215) 1996; 14 Wisniak (10.1016/j.molliq.2024.124301_b0230) 1993; 32 Hansen (10.1016/j.molliq.2024.124301_b0065) 2020; 121 Hu (10.1016/j.molliq.2024.124301_b0120) 2017; 127 Jiang (10.1016/j.molliq.2024.124301_b0300) 2020; 37 10.1016/j.molliq.2024.124301_b0185 Rozas (10.1016/j.molliq.2024.124301_b0310) 2000; 122 Anantharaj (10.1016/j.molliq.2024.124301_b0280) 2011; 92 Mulyono (10.1016/j.molliq.2024.124301_b0075) 2014; 4 Katalin (10.1016/j.molliq.2024.124301_b0045) 2000 Zhang (10.1016/j.molliq.2024.124301_b0295) 2023; 458 Bai (10.1016/j.molliq.2024.124301_b0245) 2021; 9 Fang (10.1016/j.molliq.2024.124301_b0110) 2016; 62 Li (10.1016/j.molliq.2024.124301_b0285) 2019; 4 Klamt (10.1016/j.molliq.2024.124301_b0130) 1998; 102 Lyu (10.1016/j.molliq.2024.124301_b0090) 2014; 113 Zhang (10.1016/j.molliq.2024.124301_b0050) 2022 Wei (10.1016/j.molliq.2024.124301_b0030) 2013; 52 Bai (10.1016/j.molliq.2024.124301_b0240) 2021; 9 |
References_xml | – volume: 435 start-page: 98 year: 2017 end-page: 103 ident: b0005 article-title: Separation of methanol+dimethyl carbonate azeotropic mixture using ionic liquids as entrainers, fluid phase publication-title: Equilibrium contributor: fullname: Li – volume: 114 start-page: 1289 year: 2014 end-page: 1326 ident: b0180 article-title: Gas solubility in ionic liquids publication-title: Chem. Rev. contributor: fullname: Chen – volume: 117 start-page: 6636 year: 2017 end-page: 6695 ident: b0175 article-title: Multiscale studies on ionic liquids publication-title: Chem. Rev. contributor: fullname: Zhang – volume: 217 start-page: 206 year: 2019 end-page: 214 ident: b0035 article-title: Pervaporation and vapour permeation of methanol-dimethyl carbonate mixtures through PIM-1 membranes publication-title: Sep. Purif. Technol. contributor: fullname: Harrison – volume: 119 start-page: 10856 year: 2019 end-page: 10915 ident: b0145 article-title: Chemistry in the age of quantum computing publication-title: Chem. Rev. contributor: fullname: AspuruGuzik – volume: 113 start-page: 45 year: 2014 end-page: 53 ident: b0090 article-title: Simulation based ionic liquid screening for benzene–cyclohexane extractive separation publication-title: Chem. Eng. Sci. contributor: fullname: Qi – volume: 66 start-page: 3919 year: 2021 end-page: 3933 ident: b0080 article-title: Separation of aromatics from a cyclic-aliphatic hydrocarbon using ethylene glycol and a choline chloride-based deep eutectic solvent publication-title: J. Chem. Eng. Data contributor: fullname: Rahimnejad – volume: 92 start-page: 39 year: 2011 end-page: 52 ident: b0280 article-title: COSMO-RS based predictions for the desulphurization of diesel oil using ionic liquids: effect of cation and anion combination publication-title: Fuel Process. Technol. contributor: fullname: Banerjee – volume: 33 start-page: 580 year: 2012 end-page: 592 ident: b0210 article-title: Multiwfn: a multifunctional wavefunction analyzer publication-title: Comput. Chem. contributor: fullname: Chen – volume: 14 start-page: 33 year: 1996 end-page: 38 ident: b0215 article-title: VMD: visual molecular dynamics publication-title: J. Mol. Graph. contributor: fullname: Schulten – volume: 4 start-page: 38 year: 2019 end-page: 48 ident: b0285 article-title: A comparative study of the extractive desulfurization mechanism by Cu (II) and Zn-based imidazolium ionic liquids publication-title: Green Energy Environ. contributor: fullname: Li – volume: 30 start-page: 58 year: 2021 end-page: 59 ident: b0055 article-title: Research progress on azeotrope separation of dimethyl carbonate and methanol publication-title: Chem. Enterprise Manage. contributor: fullname: Liu – volume: 127 start-page: 189 year: 2017 end-page: 214 ident: b0120 article-title: Development of alternative methanol/dimethyl carbonate separation systems by extractive distillation — a holistic approach publication-title: Chem. Eng. Res. Des. contributor: fullname: Cheng – year: 2022 ident: b0050 article-title: Highly efficient separation of benzene + cyclohexane mixtures by extraction combined extractive distillation using imidazolium-based dicationic ionic liquids publication-title: Green Chem. Eng. contributor: fullname: Wu – volume: 352 start-page: 47 year: 2013 end-page: 53 ident: b0235 article-title: Isobaric vapor–liquid equilibrium for methanol+dimethyl carbonate+phosphoric-based ionic liquids publication-title: Fluid Phase Equilib. contributor: fullname: Yu – volume: 102 start-page: 5074 year: 1998 end-page: 5085 ident: b0130 article-title: Refinement and parametrization of COSMO-RS publication-title: Chem. A Eur. J. contributor: fullname: Lohrenz – volume: 9 year: 2021 ident: b0245 article-title: Design optimization of deep eutectic solvent composition and separation performance of cyclohexane and benzene mixtures with extractive distillation publication-title: Processes contributor: fullname: Jing – volume: 37 start-page: 1482 year: 2020 end-page: 1489 ident: b0300 article-title: Kinetic study on the reaction of palmitic acid with ethanol catalyzed by deep eutectic solvent based on dodecyl trimethyl ammonium chloride publication-title: Korean J. Chem. Eng. contributor: fullname: Zhou – volume: 37 start-page: 4233 year: 2023 end-page: 4243 ident: b0085 article-title: Pyridine ionic liquid-based deep eutectic solvents selectively separating toluene from alkanes publication-title: Energy Fuel contributor: fullname: Ren – volume: 105 start-page: 385 year: 2017 end-page: 395 ident: b0225 article-title: A fresh look at the thermodynamic consistency of vapor-liquid equilibria data publication-title: J. Chem. Thermodyn. contributor: fullname: Fernández – volume: 15 start-page: 253 year: 2013 end-page: 276 ident: b0160 article-title: Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems publication-title: Found. Chem. contributor: fullname: Matta – volume: 52 start-page: 11463 year: 2013 end-page: 11478 ident: b0030 article-title: Design and control of dimethyl carbonate–methanol separation via pressure-swing distillation publication-title: Ind. Eng. Chem. Res. contributor: fullname: Sun – volume: 158 year: 2021 ident: b0265 article-title: Vapor-liquid equilibria of systems containing deep eutectic solvent based on choline chloride and glycerol publication-title: J. Chem. Thermodyn. contributor: fullname: Martinez – volume: 458 year: 2023 ident: b0295 article-title: Novel efficient capture of hexavalent chromium by polyethyleneimine/amyloid fibrils/polyvinyl alcohol aerogel beads: functional design, applicability, and mechanisms publication-title: J. Hazard. Mater. contributor: fullname: Cheng – volume: 31 start-page: 12997 year: 2017 end-page: 13009 ident: b0275 article-title: Screening monoethanolamine as solvent to extract phenols from alkane publication-title: Energy Fuels contributor: fullname: Sun – volume: 63 start-page: 4749 year: 2018 end-page: 4760 ident: b0100 article-title: Liquid–liquid extraction of benzene using low transition temperature mixtures: COSMO-SAC predictions and experiments publication-title: J. Chem. Eng. Data contributor: fullname: Sun – volume: 9 start-page: 336 year: 2021 ident: b0240 article-title: Separation of benzene-cyclohexane azeotropes via extractive distillation using deep eutectic solvents as entrainers publication-title: Processes contributor: fullname: Jing – volume: 574 start-page: 215 year: 2019 end-page: 218 ident: b0150 article-title: Analogue quantum chemistry simulation publication-title: Nature contributor: fullname: Cirac – volume: 49 start-page: 8705 year: 2010 end-page: 8725 ident: b0270 article-title: COSMO-RS-based screening of ionic liquids as green solvents in denitrification studies publication-title: Ind. Eng. Chem. Res. contributor: fullname: Banerjee – volume: 53 start-page: 8265 year: 2014 end-page: 8278 ident: b0140 article-title: An improvement to COSMO-SAC for predicting thermodynamic properties publication-title: Ind. Eng. Chem. Res. contributor: fullname: Burnett – volume: 305 year: 2023 ident: b0305 article-title: Phase behavior and molecular insights on the separation of dimethyl carbonate and methanol azeotrope by extractive distillation using deep eutectic solvents publication-title: Sep. Purif. Technol. contributor: fullname: Wang – volume: 353 year: 2023 ident: b0205 article-title: Mechanism of [BMIM][BF4] inhibiting coal groups activity from experiments and DFT calculations publication-title: Fuel contributor: fullname: Shu – volume: 175 start-page: 91 year: 2000 end-page: 105 ident: b0220 article-title: Isobaric vapor–liquid equilibria of alkyl carbonates with alcohols publication-title: Fluid Phase Equil. contributor: fullname: Zhu – volume: 21 start-page: 116 year: 2010 end-page: 128 ident: b0115 article-title: Statistical thermodynamics of liquid mixtures: a new expression for the excess Gibbs energy of partly or completely miscible systems publication-title: AIChE J contributor: fullname: Prausnitz – volume: 40 start-page: 2868 year: 2019 end-page: 2881 ident: b0315 article-title: Exploring nature and predicting strength of hydrogen bonds: a correlation analysis between atoms-in-molecules descriptors, binding energies, and energy components of symmetry-adapted perturbation theory publication-title: J. Comput. Chem. contributor: fullname: Emamian – year: 2000 ident: b0045 article-title: Membrane separation processes publication-title: Integration of Membrane Processes into Bioconversions contributor: fullname: Katalin – volume: 99 start-page: 2224 year: 1995 end-page: 2235 ident: b0125 article-title: Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena publication-title: J. Phys. Chem. contributor: fullname: Klamt – volume: 385 start-page: 72 year: 2015 end-page: 78 ident: b0255 article-title: Low transition temperature mixtures (LTTMs) as novel entrainers in extractive distillation publication-title: Fluid Phase Equilib. contributor: fullname: Kroon – volume: 122 start-page: 11154 year: 2000 end-page: 11161 ident: b0310 article-title: Behavior of ylides containing N, O, and C atoms as hydrogen bond acceptors publication-title: J. Am. Chem. Soc. contributor: fullname: Elguero – volume: 121 start-page: 1232 year: 2020 end-page: 1285 ident: b0065 article-title: Deep eutectic solvents: a review of fundamentals and applications publication-title: Chem. Rev. contributor: fullname: Sangoro – volume: 43 start-page: 539 year: 2022 end-page: 555 ident: b0155 article-title: Independent gradient model based on Hirshfeld partition: a new method for visual study of interactions in chemical systems, computational publication-title: Chemistry contributor: fullname: Chen – volume: 32 start-page: 1531 year: 1993 end-page: 1533 ident: b0230 article-title: A new test for the thermodynamic consistency of vapor-liquid equilibrium publication-title: Ind. Eng. Chem. Res. contributor: fullname: Wisniak – volume: 132 start-page: 208 year: 2018 end-page: 214 ident: b0095 article-title: Determination of the gas hydrate formation limits to isenthalpic Joule-Thomson expansions publication-title: Chem. Eng. Res. Des. contributor: fullname: Mohammadi – volume: 448 start-page: 128 year: 2017 end-page: 134 ident: b0260 article-title: Separation of azeotropic mixtures (ethanol and water) enhanced by deep eutectic solvents publication-title: Fluid Phase Equilib. contributor: fullname: Zhu – volume: 41 start-page: 899 year: 2022 end-page: 913 ident: b0135 article-title: A priori phase equilibrium prediction from a segment contribution publication-title: Ind. Eng. Chem. Res. contributor: fullname: Sandler – volume: 19 year: 2017 ident: b0290 article-title: A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions publication-title: PCCP contributor: fullname: Grimme – volume: 309 year: 2022 ident: b0020 article-title: The potential of oxygenated fuels (n-octanol, methylal, and dimethyl carbonate) as an alternative fuel for compression ignition engines with different load conditions publication-title: Fuel contributor: fullname: Huang – volume: 62 start-page: 2853 year: 2016 end-page: 2869 ident: b0110 article-title: A molecular design method based on the COSMO-SAC model for solvent selection in ionic liquid extractive distillation publication-title: AIChE J contributor: fullname: Li – volume: 309 year: 2023 ident: b0040 article-title: Recent progress of membrane technology for chiral separation: a comprehensive review publication-title: Sep. Purif. Technol. contributor: fullname: Xu – volume: 20 start-page: 414 year: 2014 end-page: 421 ident: b0105 article-title: Practical use of statistical learning theory for modeling freezing point depression of electrolyte solutions: LSSVM model publication-title: J. Nat. Gas Sci. Eng. contributor: fullname: Ghiasi – volume: 354 year: 2023 ident: b0195 article-title: 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 publication-title: Fuel contributor: fullname: Wang – volume: 4 start-page: 17597 year: 2014 end-page: 17606 ident: b0075 article-title: Separation of BTEX aromatics from n-octane using a (tetrabutylammonium bromide + sulfolane) deep eutectic solvent-experiments and COSMO-RS prediction publication-title: RSC Adv. contributor: fullname: Hadj-Kali – volume: 52 start-page: 3074 year: 2013 end-page: 3085 ident: b0060 article-title: Low-transition-temperature mixtures (LTTMs): a new generation of designer solvents publication-title: Angew. Chem. (Int. Ed. Engl.). contributor: fullname: Kroon – volume: 24 start-page: 4812 year: 2010 end-page: 4819 ident: b0015 article-title: A comparison of diesel and biodiesel emissions using dimethyl carbonate as an oxygenated additive publication-title: Energy Fuel contributor: fullname: York – volume: 313 year: 2020 ident: b0070 article-title: Choline chloride-based deep eutectic solvents as green extractant for the efficient extraction of 1-butanol or 2-butanol from azeotropic n-heptane + butanol mixtures publication-title: J. Mol. Liq. contributor: fullname: Pazuki – volume: 292 year: 2022 ident: b0025 article-title: Energy-saving reactive pressure-swing distillation process for separation of methanol-dimethyl carbonate azeotrope via reacting with propylene oxide publication-title: Sep. Purif. Technol. contributor: fullname: Liu – volume: 229 year: 2019 ident: b0010 article-title: Energy-efficient extractive pressure-swing distillation for separating binary minimum azeotropic mixture dimethyl carbonate and ethanol publication-title: Sep. Purif. Technol. contributor: fullname: Shen – volume: 85 start-page: 216 year: 2015 end-page: 221 ident: b0250 article-title: Isopropanol dehydration via extractive distillation using low transition temperature mixtures as entrainers publication-title: J. Chem. Thermodyn. contributor: fullname: Kroon – year: 2022 ident: 10.1016/j.molliq.2024.124301_b0050 article-title: Highly efficient separation of benzene + cyclohexane mixtures by extraction combined extractive distillation using imidazolium-based dicationic ionic liquids publication-title: Green Chem. Eng. contributor: fullname: Zhang – volume: 4 start-page: 38 issue: 1 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0285 article-title: A comparative study of the extractive desulfurization mechanism by Cu (II) and Zn-based imidazolium ionic liquids publication-title: Green Energy Environ. doi: 10.1016/j.gee.2017.10.003 contributor: fullname: Li – volume: 15 start-page: 253 year: 2013 ident: 10.1016/j.molliq.2024.124301_b0160 article-title: Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems publication-title: Found. Chem. doi: 10.1007/s10698-012-9153-1 contributor: fullname: Bader – volume: 63 start-page: 4749 issue: 12 year: 2018 ident: 10.1016/j.molliq.2024.124301_b0100 article-title: Liquid–liquid extraction of benzene using low transition temperature mixtures: COSMO-SAC predictions and experiments publication-title: J. Chem. Eng. Data contributor: fullname: Ma – volume: 217 start-page: 206 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0035 article-title: Pervaporation and vapour permeation of methanol-dimethyl carbonate mixtures through PIM-1 membranes publication-title: Sep. Purif. Technol. doi: 10.1016/j.seppur.2019.02.023 contributor: fullname: Číhal – volume: 448 start-page: 128 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0260 article-title: Separation of azeotropic mixtures (ethanol and water) enhanced by deep eutectic solvents publication-title: Fluid Phase Equilib. doi: 10.1016/j.fluid.2017.03.010 contributor: fullname: Peng – volume: 99 start-page: 2224 issue: 7 year: 1995 ident: 10.1016/j.molliq.2024.124301_b0125 article-title: Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena publication-title: J. Phys. Chem. doi: 10.1021/j100007a062 contributor: fullname: Klamt – ident: 10.1016/j.molliq.2024.124301_b0200 – volume: 4 start-page: 17597 issue: 34 year: 2014 ident: 10.1016/j.molliq.2024.124301_b0075 article-title: Separation of BTEX aromatics from n-octane using a (tetrabutylammonium bromide + sulfolane) deep eutectic solvent-experiments and COSMO-RS prediction publication-title: RSC Adv. doi: 10.1039/c4ra01081g contributor: fullname: Mulyono – volume: 113 start-page: 45 year: 2014 ident: 10.1016/j.molliq.2024.124301_b0090 article-title: Simulation based ionic liquid screening for benzene–cyclohexane extractive separation publication-title: Chem. Eng. Sci. doi: 10.1016/j.ces.2014.04.011 contributor: fullname: Lyu – volume: 175 start-page: 91 issue: 1–2 year: 2000 ident: 10.1016/j.molliq.2024.124301_b0220 article-title: Isobaric vapor–liquid equilibria of alkyl carbonates with alcohols publication-title: Fluid Phase Equil. doi: 10.1016/S0378-3812(00)00444-1 contributor: fullname: Luo – volume: 24 start-page: 4812 issue: 9 year: 2010 ident: 10.1016/j.molliq.2024.124301_b0015 article-title: A comparison of diesel and biodiesel emissions using dimethyl carbonate as an oxygenated additive publication-title: Energy Fuel doi: 10.1021/ef100103z contributor: fullname: Rounce – volume: 292 year: 2022 ident: 10.1016/j.molliq.2024.124301_b0025 article-title: Energy-saving reactive pressure-swing distillation process for separation of methanol-dimethyl carbonate azeotrope via reacting with propylene oxide publication-title: Sep. Purif. Technol. doi: 10.1016/j.seppur.2022.120889 contributor: fullname: An – volume: 435 start-page: 98 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0005 article-title: Separation of methanol+dimethyl carbonate azeotropic mixture using ionic liquids as entrainers, fluid phase publication-title: Equilibrium contributor: fullname: Zhang – volume: 119 start-page: 10856 issue: 19 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0145 article-title: Chemistry in the age of quantum computing publication-title: Chem. Rev. doi: 10.1021/acs.chemrev.8b00803 contributor: fullname: Cao – volume: 85 start-page: 216 year: 2015 ident: 10.1016/j.molliq.2024.124301_b0250 article-title: Isopropanol dehydration via extractive distillation using low transition temperature mixtures as entrainers publication-title: J. Chem. Thermodyn. doi: 10.1016/j.jct.2015.02.003 contributor: fullname: Rodriguez – volume: 31 start-page: 12997 issue: 11 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0275 article-title: Screening monoethanolamine as solvent to extract phenols from alkane publication-title: Energy Fuels doi: 10.1021/acs.energyfuels.7b02486 contributor: fullname: Ma – volume: 132 start-page: 208 year: 2018 ident: 10.1016/j.molliq.2024.124301_b0095 article-title: Determination of the gas hydrate formation limits to isenthalpic Joule-Thomson expansions publication-title: Chem. Eng. Res. Des. doi: 10.1016/j.cherd.2017.12.046 contributor: fullname: Yarveicy – volume: 21 start-page: 116 year: 2010 ident: 10.1016/j.molliq.2024.124301_b0115 article-title: Statistical thermodynamics of liquid mixtures: a new expression for the excess Gibbs energy of partly or completely miscible systems publication-title: AIChE J doi: 10.1002/aic.690210115 contributor: fullname: Abrams – year: 2000 ident: 10.1016/j.molliq.2024.124301_b0045 article-title: Membrane separation processes contributor: fullname: Katalin – volume: 66 start-page: 3919 issue: 10 year: 2021 ident: 10.1016/j.molliq.2024.124301_b0080 article-title: Separation of aromatics from a cyclic-aliphatic hydrocarbon using ethylene glycol and a choline chloride-based deep eutectic solvent publication-title: J. Chem. Eng. Data doi: 10.1021/acs.jced.1c00581 contributor: fullname: Khodabakhshitabar – volume: 37 start-page: 4233 issue: 6 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0085 article-title: Pyridine ionic liquid-based deep eutectic solvents selectively separating toluene from alkanes publication-title: Energy Fuel doi: 10.1021/acs.energyfuels.2c03681 contributor: fullname: Wu – volume: 33 start-page: 580 year: 2012 ident: 10.1016/j.molliq.2024.124301_b0210 article-title: Multiwfn: a multifunctional wavefunction analyzer publication-title: Comput. Chem. doi: 10.1002/jcc.22885 contributor: fullname: Lu – ident: 10.1016/j.molliq.2024.124301_b0165 – volume: 32 start-page: 1531 issue: 7 year: 1993 ident: 10.1016/j.molliq.2024.124301_b0230 article-title: A new test for the thermodynamic consistency of vapor-liquid equilibrium publication-title: Ind. Eng. Chem. Res. doi: 10.1021/ie00019a030 contributor: fullname: Wisniak – volume: 92 start-page: 39 issue: 1 year: 2011 ident: 10.1016/j.molliq.2024.124301_b0280 article-title: COSMO-RS based predictions for the desulphurization of diesel oil using ionic liquids: effect of cation and anion combination publication-title: Fuel Process. Technol. doi: 10.1016/j.fuproc.2010.08.018 contributor: fullname: Anantharaj – volume: 313 year: 2020 ident: 10.1016/j.molliq.2024.124301_b0070 article-title: Choline chloride-based deep eutectic solvents as green extractant for the efficient extraction of 1-butanol or 2-butanol from azeotropic n-heptane + butanol mixtures publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2020.113524 contributor: fullname: Esfahani – volume: 40 start-page: 2868 issue: 32 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0315 article-title: Exploring nature and predicting strength of hydrogen bonds: a correlation analysis between atoms-in-molecules descriptors, binding energies, and energy components of symmetry-adapted perturbation theory publication-title: J. Comput. Chem. doi: 10.1002/jcc.26068 contributor: fullname: Emamian – volume: 305 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0305 article-title: Phase behavior and molecular insights on the separation of dimethyl carbonate and methanol azeotrope by extractive distillation using deep eutectic solvents publication-title: Sep. Purif. Technol. doi: 10.1016/j.seppur.2022.122489 contributor: fullname: Qi – volume: 574 start-page: 215 issue: 7777 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0150 article-title: Analogue quantum chemistry simulation publication-title: Nature doi: 10.1038/s41586-019-1614-4 contributor: fullname: Argüello-Luengo – volume: 458 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0295 article-title: Novel efficient capture of hexavalent chromium by polyethyleneimine/amyloid fibrils/polyvinyl alcohol aerogel beads: functional design, applicability, and mechanisms publication-title: J. Hazard. Mater. doi: 10.1016/j.jhazmat.2023.132017 contributor: fullname: Zhang – volume: 309 year: 2022 ident: 10.1016/j.molliq.2024.124301_b0020 article-title: The potential of oxygenated fuels (n-octanol, methylal, and dimethyl carbonate) as an alternative fuel for compression ignition engines with different load conditions publication-title: Fuel doi: 10.1016/j.fuel.2021.122129 contributor: fullname: Wang – volume: 52 start-page: 3074 issue: 11 year: 2013 ident: 10.1016/j.molliq.2024.124301_b0060 article-title: Low-transition-temperature mixtures (LTTMs): a new generation of designer solvents publication-title: Angew. Chem. (Int. Ed. Engl.). doi: 10.1002/anie.201207548 contributor: fullname: Francisco – volume: 43 start-page: 539 year: 2022 ident: 10.1016/j.molliq.2024.124301_b0155 article-title: Independent gradient model based on Hirshfeld partition: a new method for visual study of interactions in chemical systems, computational publication-title: Chemistry contributor: fullname: Lu – volume: 122 start-page: 11154 issue: 45 year: 2000 ident: 10.1016/j.molliq.2024.124301_b0310 article-title: Behavior of ylides containing N, O, and C atoms as hydrogen bond acceptors publication-title: J. Am. Chem. Soc. doi: 10.1021/ja0017864 contributor: fullname: Rozas – volume: 20 start-page: 414 year: 2014 ident: 10.1016/j.molliq.2024.124301_b0105 article-title: Practical use of statistical learning theory for modeling freezing point depression of electrolyte solutions: LSSVM model publication-title: J. Nat. Gas Sci. Eng. doi: 10.1016/j.jngse.2014.06.020 contributor: fullname: Yarveicy – volume: 19 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0290 article-title: A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions publication-title: PCCP doi: 10.1039/C7CP04913G contributor: fullname: Goerigk – volume: 127 start-page: 189 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0120 article-title: Development of alternative methanol/dimethyl carbonate separation systems by extractive distillation — a holistic approach publication-title: Chem. Eng. Res. Des. doi: 10.1016/j.cherd.2017.09.016 contributor: fullname: Hu – volume: 37 start-page: 1482 year: 2020 ident: 10.1016/j.molliq.2024.124301_b0300 article-title: Kinetic study on the reaction of palmitic acid with ethanol catalyzed by deep eutectic solvent based on dodecyl trimethyl ammonium chloride publication-title: Korean J. Chem. Eng. doi: 10.1007/s11814-020-0557-7 contributor: fullname: Jiang – ident: 10.1016/j.molliq.2024.124301_b0190 – volume: 354 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0195 article-title: 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 publication-title: Fuel doi: 10.1016/j.fuel.2023.129397 contributor: fullname: Sun – volume: 9 issue: 10 year: 2021 ident: 10.1016/j.molliq.2024.124301_b0245 article-title: Design optimization of deep eutectic solvent composition and separation performance of cyclohexane and benzene mixtures with extractive distillation publication-title: Processes doi: 10.3390/pr9101706 contributor: fullname: Bai – volume: 14 start-page: 33 issue: 1 year: 1996 ident: 10.1016/j.molliq.2024.124301_b0215 article-title: VMD: visual molecular dynamics publication-title: J. Mol. Graph. doi: 10.1016/0263-7855(96)00018-5 contributor: fullname: Humphrey – volume: 229 year: 2019 ident: 10.1016/j.molliq.2024.124301_b0010 article-title: Energy-efficient extractive pressure-swing distillation for separating binary minimum azeotropic mixture dimethyl carbonate and ethanol publication-title: Sep. Purif. Technol. doi: 10.1016/j.seppur.2019.115817 contributor: fullname: Yang – volume: 117 start-page: 6636 issue: 10 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0175 article-title: Multiscale studies on ionic liquids publication-title: Chem. Rev. doi: 10.1021/acs.chemrev.6b00776 contributor: fullname: Dong – volume: 121 start-page: 1232 issue: 3 year: 2020 ident: 10.1016/j.molliq.2024.124301_b0065 article-title: Deep eutectic solvents: a review of fundamentals and applications publication-title: Chem. Rev. doi: 10.1021/acs.chemrev.0c00385 contributor: fullname: Hansen – volume: 352 start-page: 47 year: 2013 ident: 10.1016/j.molliq.2024.124301_b0235 article-title: Isobaric vapor–liquid equilibrium for methanol+dimethyl carbonate+phosphoric-based ionic liquids publication-title: Fluid Phase Equilib. doi: 10.1016/j.fluid.2013.05.021 contributor: fullname: Cai – volume: 102 start-page: 5074 issue: 26 year: 1998 ident: 10.1016/j.molliq.2024.124301_b0130 article-title: Refinement and parametrization of COSMO-RS publication-title: Chem. A Eur. J. contributor: fullname: Klamt – volume: 385 start-page: 72 year: 2015 ident: 10.1016/j.molliq.2024.124301_b0255 article-title: Low transition temperature mixtures (LTTMs) as novel entrainers in extractive distillation publication-title: Fluid Phase Equilib. doi: 10.1016/j.fluid.2014.10.044 contributor: fullname: Rodríguez – volume: 114 start-page: 1289 issue: 2 year: 2014 ident: 10.1016/j.molliq.2024.124301_b0180 article-title: Gas solubility in ionic liquids publication-title: Chem. Rev. doi: 10.1021/cr300497a contributor: fullname: Lei – ident: 10.1016/j.molliq.2024.124301_b0185 – volume: 49 start-page: 8705 issue: 18 year: 2010 ident: 10.1016/j.molliq.2024.124301_b0270 article-title: COSMO-RS-based screening of ionic liquids as green solvents in denitrification studies publication-title: Ind. Eng. Chem. Res. doi: 10.1021/ie901341k contributor: fullname: Anantharaj – volume: 52 start-page: 11463 year: 2013 ident: 10.1016/j.molliq.2024.124301_b0030 article-title: Design and control of dimethyl carbonate–methanol separation via pressure-swing distillation publication-title: Ind. Eng. Chem. Res. doi: 10.1021/ie3034976 contributor: fullname: Wei – volume: 41 start-page: 899 issue: 5 year: 2022 ident: 10.1016/j.molliq.2024.124301_b0135 article-title: A priori phase equilibrium prediction from a segment contribution publication-title: Ind. Eng. Chem. Res. doi: 10.1021/ie001047w contributor: fullname: Lin – volume: 353 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0205 article-title: Mechanism of [BMIM][BF4] inhibiting coal groups activity from experiments and DFT calculations publication-title: Fuel doi: 10.1016/j.fuel.2023.129175 contributor: fullname: Bai – volume: 105 start-page: 385 year: 2017 ident: 10.1016/j.molliq.2024.124301_b0225 article-title: A fresh look at the thermodynamic consistency of vapor-liquid equilibria data publication-title: J. Chem. Thermodyn. doi: 10.1016/j.jct.2016.10.038 contributor: fullname: Wisniak – volume: 309 year: 2023 ident: 10.1016/j.molliq.2024.124301_b0040 article-title: Recent progress of membrane technology for chiral separation: a comprehensive review publication-title: Sep. Purif. Technol. doi: 10.1016/j.seppur.2022.123077 contributor: fullname: Zhu – volume: 30 start-page: 58 year: 2021 ident: 10.1016/j.molliq.2024.124301_b0055 article-title: Research progress on azeotrope separation of dimethyl carbonate and methanol publication-title: Chem. Enterprise Manage. contributor: fullname: Cheng – ident: 10.1016/j.molliq.2024.124301_b0170 – volume: 9 start-page: 336 issue: 2 year: 2021 ident: 10.1016/j.molliq.2024.124301_b0240 article-title: Separation of benzene-cyclohexane azeotropes via extractive distillation using deep eutectic solvents as entrainers publication-title: Processes doi: 10.3390/pr9020336 contributor: fullname: Bai – volume: 158 year: 2021 ident: 10.1016/j.molliq.2024.124301_b0265 article-title: Vapor-liquid equilibria of systems containing deep eutectic solvent based on choline chloride and glycerol publication-title: J. Chem. Thermodyn. doi: 10.1016/j.jct.2021.106444 contributor: fullname: Souza – volume: 53 start-page: 8265 issue: 19 year: 2014 ident: 10.1016/j.molliq.2024.124301_b0140 article-title: An improvement to COSMO-SAC for predicting thermodynamic properties publication-title: Ind. Eng. Chem. Res. doi: 10.1021/ie404410v contributor: fullname: Xiong – volume: 62 start-page: 2853 year: 2016 ident: 10.1016/j.molliq.2024.124301_b0110 article-title: A molecular design method based on the COSMO-SAC model for solvent selection in ionic liquid extractive distillation publication-title: AIChE J doi: 10.1002/aic.15247 contributor: fullname: Fang |
SSID | ssj0005580 |
Score | 2.4224637 |
Snippet | •Five choline chloride-based DESs screened by the COSMO-SAC model for DMC-MeOH separation.•VLE experiments confirm ChCl-urea DES excels in DMC-MeOH azeotrope... |
SourceID | crossref elsevier |
SourceType | Aggregation Database Publisher |
StartPage | 124301 |
SubjectTerms | Deep eutectic solvent Extractive distillation Quantum chemistry calculation Separation of binary azeotropes |
Title | Study on separation of methanol and dimethyl carbonate azeotropic system with deep eutectic solvents |
URI | https://dx.doi.org/10.1016/j.molliq.2024.124301 |
Volume | 399 |
hasFullText | 1 |
inHoldings | 1 |
isFullTextHit | |
isPrint | |
link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV07T8MwED6VIgQL4imelQfW0CZ16nisKlAB0QWQukWOfZaKShLadICB344vDwFCYmCLHZ0UnaPvzvZ33wFcSFR2YG3gSZf-etyYyFPoEjnfRjoSmog1VDt8PxmMn_jtNJy2YNTUwhCtssb-CtNLtK5nurU3u_ls1n0gAr2giwJO12FiugbrLhxx3ob14c3dePLF9AjLBmqlxDcZNBV0Jc3rhbSvX91GMeCXLtb16-4wvyLUt6hzvQPbdbrIhtUX7UIL0z3YHDVd2vZgo6Rw6uU-GKIEvrEsZUusBL3dY2YZ9YhWaTZnKjXMzGj4NmdaLRI6OEem3jErFlk-06ySdWZ0NssMYs5wRXcM9CabEzFyeQBP11ePo7FX91DwtNssFA7LHKKJUHGu-1pGAkWCqieCwCaGKwys7CH2hIiw5BhKzgOtBjpwc4pHvt8_hHaapXgETMieRG5CQYr0YZAoKZRvrUTkITc-Pwav8VucV1IZccMhe44rP8fk57jy8zGIxrnxjyWPHZr_aXnyb8tT2KJRRb05g3axWOG5yyqKpANrlx9-p_53PgHwQM0m |
link.rule.ids | 315,786,790,4521,24144,27955,27956,45618,45712 |
linkProvider | Elsevier |
linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV07T8MwED7xEIIFQQFRnh5Y0zapU8cjqkDl1QUqdYsc-ywVlST0MZSB344vDwmExMCW2LEUfYm-O_u-uwO4kqhsz9rAk8799bgxkafQOXK-jXQkNAlrKHf4adgbjPj9OByvQb_OhSFZZcX9JacXbF2NtCs02_lk0n4mAb2gQAGncJgYr8MmeQOk62p9ftN5hEX7tKLANz1e588VIq83qnz97raJAW85S9etesP8sk_fbM7tHuxWziK7Lt9nH9YwbcB2v-7R1oCtQsCp5wdgSBC4YlnK5liW83aXmWXUIVql2ZSp1DAzodvVlGk1S-jYHJn6wGwxy_KJZmVRZ0Yns8wg5gyXFGGgmWxKssj5IYxub176A6_qoOBpt1VYOCZzfCZCxbnuahkJFAmqjggCmxiuMLCyg9gRIsJCYSg5D7Tq6cCNKR75fvcINtIsxWNgQnYkchMKqkcfBomSQvnWSkQecuPzJng1bnFeFsqIawXZa1ziHBPOcYlzE0QNbvzjg8eOy_9cefLvlZewPXh5eowf74YPp7BDM6UI5ww2FrMlnjv_YpFcFP_PF79Kzfs |
openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Study+on+separation+of+methanol+and+dimethyl+carbonate+azeotropic+system+with+deep+eutectic+solvents&rft.jtitle=Journal+of+molecular+liquids&rft.au=Li%2C+Renting&rft.au=Chu%2C+Suying&rft.au=Cui%2C+Chuanxin&rft.au=Jia%2C+Kai&rft.date=2024-04-01&rft.pub=Elsevier+B.V&rft.issn=0167-7322&rft.eissn=1873-3166&rft.volume=399&rft_id=info:doi/10.1016%2Fj.molliq.2024.124301&rft.externalDocID=S016773222400357X |
thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0167-7322&client=summon |
thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0167-7322&client=summon |
thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0167-7322&client=summon |