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离子液体对溴化锂在水溶液中溶解度的影响：实验测量与预测

Effect of Ionic Liquids on the Solubility of Lithium Bromide in Aqueous Solution: Experimental Measurement and Prediction.

作者信息

Wu Zixi, Huang Chunxiang, Li Leyi, Cao Jinxiang, Liu Yingjie, Ye Qing, Li Jinlong

机构信息

School of Petrochemical Engineering, Changzhou University, Jiangsu, Changzhou 213164, China.

School of Chemical and Material Engineering, Jiangnan University, Jiangsu, Wuxi 214122, China.

出版信息

ACS Omega. 2025 Aug 11;10(32):35566-35577. doi: 10.1021/acsomega.5c00488. eCollection 2025 Aug 19.

DOI:10.1021/acsomega.5c00488
PMID:40852226
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12368643/
Abstract

The paper presents experimentally determined solubility results of lithium bromide in ionic liquid + water and assesses the effect of the addition of ionic liquids (ILs) on the solubility of lithium bromide (LiBr) in water. The solubility of LiBr in pure water has been determined and compared to the literature data. It is known that LiBr aqueous solutions are widely used as working fluids in low-temperature thermal energy recovery systems. However, the aqueous LiBr solution is easy to crystallize, which could cause equipment corrosion. One of the possibilities for improving the properties of the HO/LiBr refrigerant system is the use of an additive to increase the solubility of LiBr in water. Three ILs were selected as an additive: 1-ethyl-3-methylimidazolium acetate ([EMIM]-[OAc]), 1-ethyl-3-methylimidazolium bromide ([EMIM]-Br), and 1-butyl-3-methylimidazolium bromide ([BMIM]-Br). In this study, new empirical parameters for the calculation of LiBr solubility in water were provided. A reasonable prediction of phase equilibrium data is made using the COSMO-SAC model. The NRTL equation is also calculated. The maximum deviation of COSMO-SAC is 7.56%, and the deviation of the other calculations is less than 2%. These experimental and theoretical findings offer valuable insights into the selection and optimization of working fluids in absorption cycle systems.

摘要

本文介绍了通过实验测定的溴化锂在离子液体+水体系中的溶解度结果，并评估了添加离子液体（ILs）对溴化锂（LiBr）在水中溶解度的影响。测定了LiBr在纯水中的溶解度，并与文献数据进行了比较。众所周知，LiBr水溶液被广泛用作低温热能回收系统的工作流体。然而，LiBr水溶液容易结晶，这可能会导致设备腐蚀。改善HO/LiBr制冷剂系统性能的一种可能性是使用添加剂来提高LiBr在水中的溶解度。选择了三种离子液体作为添加剂：1-乙基-3-甲基咪唑醋酸盐（[EMIM]-[OAc]）、1-乙基-3-甲基咪唑溴盐（[EMIM]-Br）和1-丁基-3-甲基咪唑溴盐（[BMIM]-Br）。在本研究中，提供了计算LiBr在水中溶解度的新经验参数。使用COSMO-SAC模型对相平衡数据进行了合理预测。还计算了NRTL方程。COSMO-SAC的最大偏差为7.56%，其他计算的偏差小于2%。这些实验和理论结果为吸收循环系统中工作流体的选择和优化提供了有价值的见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcdf/12368643/8a69abc07614/ao5c00488_0009.jpg
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本文引用的文献

1
Investigation of COSMO-SAC model for solubility and cocrystal formation of pharmaceutical compounds.考察 COSMO-SAC 模型在药物化合物溶解度和共晶形成中的应用。
Sci Rep. 2020 Nov 16;10(1):19879. doi: 10.1038/s41598-020-76986-3.
2
A Benchmark Open-Source Implementation of COSMO-SAC.COSMO-SAC 的基准开源实现。
J Chem Theory Comput. 2020 Apr 14;16(4):2635-2646. doi: 10.1021/acs.jctc.9b01016. Epub 2020 Mar 6.