Optimization of solvent cooling crystallization process for separating phenanthrene from 9-fluorenone by COSMO-RS and solubility calculation approach DOI
Lei Tian,

Mengni Pan,

Cuiping Ye

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: unknown, P. 126176 - 126176

Published: Oct. 1, 2024

Language: Английский

Structure and dynamics of piperidinium based amino acid ionic liquids: a computational investigation DOI Creative Commons
Kshatresh Dutta Dubey, Raghu Nath Behera

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(2)

Published: Jan. 8, 2025

Language: Английский

Citations

0
The Interaction Exploreation of The Dilute Solutions Of [Etoheim][Scn] With Organic Solvents: Apparent Molar Volume And Molar Surface Gibbs Energy DOI
Boyu Li,

Jingyuan He,

Y. Y. Di

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0
Theoretical study on the alkyl chain length impact of azobenzene-based photoresponsive ionic liquids DOI Creative Commons

Liao Ying,

Zhaoyang Ju,

Chunjin Lin

et al.

BMC Chemistry, Journal Year: 2025, Volume and Issue: 19(1)

Published: March 10, 2025

The light-modulated isomerization and aggregation behavior of ionic liquids (ILs) in aqueous solutions holds fundamental technological significance. Although several azobenzene-based photoresponsive ILs have been synthesized, there is still a lack understanding regarding the mechanism, regularity alkyl chain length, position azobenzene (cis- trans-) these ILs. To elucidate structure-property relationship ILs, four types groups photosensitive ([AzoCnDMEA]Br, n = 2,4,6,10) both trans- cis- configurations were investigated by density functional theory (DFT) calculations. We geometric properties cations, H-bonds interactions pairs, microstructures clusters, between water molecules. It was found that molecular volume smaller than cation structures. Despite multiple anions ammonium group longer chains weaken anion-cation interactions. interaction energies n[AzoC2DMEA]Br (1 ≤ 4) clusters are stronger those cis-. Moreover, energy trans-structures molecules structures based on DFT per molecule ILs-water tend to saturation as number increases. electrostatic plays crucial role stabilization systems. including length well microscopic mechanism had studied from theoretical calculation perspective. This work can contribute an in-depth microcosmic aid designing them "task-specific" way.

Language: Английский

Citations

0
Crystallization Resolution of a Racemic Compound (R,S)-Sulpiride Promoted by Chiral Ionic Liquids: Insight into the Effect on Selective Nucleation DOI

Yuxu Tao,

Yue Xu, Yini Wang

et al.

Crystal Growth & Design, Journal Year: 2025, Volume and Issue: unknown

Published: April 24, 2025

Language: Английский

Citations

0
Protic Ionic Liquids with Chelating Amine DOI
Chi Wang, Jingjing Zhu, Yue Qiu

et al.

Journal of Solution Chemistry, Journal Year: 2024, Volume and Issue: 54(1), P. 55 - 72

Published: Aug. 28, 2024

Language: Английский

Citations

2
Optimization of solvent cooling crystallization process for separating phenanthrene from 9-fluorenone by COSMO-RS and solubility calculation approach DOI
Lei Tian,

Mengni Pan,

Cuiping Ye

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: unknown, P. 126176 - 126176

Published: Oct. 1, 2024

Language: Английский

Citations

0