Molecular simulation and experimental insights into the separation of dimethyl carbonate and isopropyl alcohol using imidazolium ionic liquids

Sun, Chao; Qu, Yajuan; Dai, Yasen; Xing, Jiafu; Zhang, Yanli; Wang, Yinglong; Gao, Jun

doi:10.1016/j.fluid.2023.113942

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2024

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Cited by 2 publications

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Nanoionic liquid for hydrogen generation and storage

Zaki,

Elsaeed,

Elhady

et al. 2024

Nanotechnology for Hydrogen Production and Storage

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Nanoionic liquid for hydrogen generation and storage

Zaki,

Elsaeed,

Elhady

et al. 2024

Nanotechnology for Hydrogen Production and Storage

View full text Add to dashboard Cite

Study on Liquid-Liquid Equilibrium Experiments and Correlation of Cyclohexane +Toluene + Imidazole Ionic Liquids Systems at several temperatures

Li,

Liu,

Yin

et al. 2024

Preprint

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In today's increasingly strong concept of sustainable development and environmental protection, it is of great significance to seek more environmentally friendly and safe separation technology. Toluene and cyclohexane are important organic solvents, and their separation and purification play important role in chemical industry, environmental protection, food, drug preparation and other fields. In this work, two ionic liquids (ILs) 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) and 1-Hexyl-3-methylimidazolium hexafluorophosphate ([HMIM][PF6]) were screened as extractants by COSMOthermX 2021 to separate toluene from cyclohexane. The liquid-liquid equilibrium (LLE) data of the ternary system for cyclohexane + toluene + [BMIM][PF6]/[HMIM][PF6] were measured at T = 298.15, 308.15 and 318.15 K, and the effect of the alkyl chain length on LLE was revealed. To assess the separation efficiency, we calculated the distribution coefficient (D) and selectivity (S) at different temperatures. Additionally, the Othmer-Tobias equation was used to test the reliability of the experimental data. The nonrandom two-liquid (NRTL) model is used to correlate the LLE data, and the model parameters were obtained using Matlab tools, and root-mean-square deviation (RMSD) values less than 0.018, indicating that experimental data agree with the regressed by the NRTL model.

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Molecular simulation and experimental insights into the separation of dimethyl carbonate and isopropyl alcohol using imidazolium ionic liquids

Cited by 2 publications

References 50 publications

Nanoionic liquid for hydrogen generation and storage

Nanoionic liquid for hydrogen generation and storage

Study on Liquid-Liquid Equilibrium Experiments and Correlation of Cyclohexane +Toluene + Imidazole Ionic Liquids Systems at several temperatures

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