Temperature- and pressure-induced phase transitions of choline chloride-urea deep eutectic solvent

被引：15

作者：

Yuan, Chaosheng ^{[1
]}

Zhang, Xin ^{[1
]}

Ren, Yufen ^{[1
]}

Feng, Shiquan ^{[1
]}

Liu, Jinbo ^{[1
]}

Wang, Jian ^{[1
]}

Su, Lei ^{[2
]}

机构：

[1] Zhengzhou Univ Light Ind, High Pressure Res Ctr Sci & Technol, Zhengzhou 450002, Henan, Peoples R China

[2] Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing 100080, Peoples R China

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2019年 / 291卷

基金：

美国国家科学基金会;

关键词：

FT-IR; Pressure; Temperature; DES; Phase transition; PHYSICAL-PROPERTIES; SIMULATIONS; BEHAVIOR;

D O I：

10.1016/j.molliq.2019.111343

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

FT-IR spectroscopy has been used to decipher structural rearrangements in a choline chloride-urea (ChCl-Urea) deep eutectic solvent, as a function of temperature (-60-20 degrees C) at atmospheric pressure and as a function of pressure (0.1 MPa to 5.2 GPa) at room temperature. Under atmospheric pressure, the ChCl-Urea deep eutectic solvent (DES) underwent glass-to-crystal and crystal-to-liquid phase transitions during the heating process. However, at room temperature, with pressure increasing, the ChCl-Urea DES experienced liquid-liquid and liquid-crystal phase transitions at approximately 1.6 and 2.6 GPa. In addition, the partial breakage of intermolecular hydrogen bonds between ChCl and urea was observed during the isothermal crystallization process; however, intermolecular hydrogen bonding between two urea molecules was enhanced during the pressure induced crystallization process. Consequently, urea could act as a "spacer" in the regular ChCl packing of ChCl-Urea DES cocrystals, and could regulate the intermolecular hydrogen bondings according to the competition among the complexed cations and anions in different crystallization environments. (C) 2019 Elsevier B.V. All rights reserved.

引用

页数：5

共 30 条

[1] Sustained electroless deposition of metallic silver from a choline chloride-based ionic liquid [J].

Abbott, Andrew P. ;

Griffith, Jason ;

Nandhra, Satvinder ;

O'Connor, Cecil ;

Postlethwaite, Stella ;

Ryder, Karl S. ;

Smith, Emma L. .

SURFACE & COATINGS TECHNOLOGY, 2008, 202 (10) :2033-2039

[2] Glycerol eutectics as sustainable solvent systems [J].

Abbott, Andrew P. ;

Harris, Robert C. ;

Ryder, Karl S. ;

D'Agostino, Carmine ;

Gladden, Lynn F. ;

Mantle, Mick D. .

GREEN CHEMISTRY, 2011, 13 (01) :82-90

[3] Deep eutectic solvents formed between choline chloride and carboxylic acids: Versatile alternatives to ionic liquids [J].

Abbott, AP ;

Boothby, D ;

Capper, G ;

Davies, DL ;

Rasheed, RK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (29) :9142-9147

[4] Novel solvent properties of choline chloride/urea mixtures [J].

Abbott, AP ;

Capper, G ;

Davies, DL ;

Rasheed, RK ;

Tambyrajah, V .

CHEMICAL COMMUNICATIONS, 2003, (01) :70-71

[5] Doubly ionic hydrogen bond interactions within the choline chloride-urea deep eutectic solvent [J].

Ashworth, Claire R. ;

Matthews, Richard P. ;

Welton, Tom ;

Hunt, Patricia A. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (27) :18145-18160

[6] Natural deep eutectic solvents as new potential media for green technology [J].

Dai, Yuntao ;

van Spronsen, Jaap ;

Witkamp, Geert-Jan ;

Verpoorte, Robert ;

Choi, Young Hae .

ANALYTICA CHIMICA ACTA, 2013, 766 :61-68

[7] Hydrogen bridges in crystal engineering: Interactions without borders [J].

Desiraju, GR .

ACCOUNTS OF CHEMICAL RESEARCH, 2002, 35 (07) :565-573

[8] Model for the DSC thermograms of the melting of ideal binary solutions [J].

Dumas, Jean Pierre ;

Gibout, Stephane ;

Cezac, Pierre ;

Franquet, Erwin ;

Haillot, Didier .

THERMOCHIMICA ACTA, 2013, 571 :64-76

[9] The influence of hydrogen bonding on the physical properties of ionic liquids [J].

Fumino, Koichi ;

Peppel, Tim ;

Geppert-Rybczynska, Monika ;

Zaitsau, Dzmitry H. ;

Lehmann, Jochen K. ;

Verevkin, Sergey P. ;

Koeckerling, Martin ;

Ludwig, Ralf .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (31) :14064-14075

[10] The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents [J].

Garcia, Gregorio ;

Atilhan, Mert ;

Aparicio, Santiago .

JOURNAL OF MOLECULAR LIQUIDS, 2015, 211 :506-514

← 1 2 3 →