Smart ionic liquid/water mixture system with dual stimuli-response to temperature and CO2

Yuan, Xiaoqing; Liu, Ju; Qin, Jingyu; Ma, Weili; Liu, Guangyong; Wang, Yanlei; He, Hongyan

doi:10.1007/s12274-022-4612-z

Cited by 8 publications

(4 citation statements)

References 50 publications

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“…Ionic liquids (ILs), composed exclusively of ions, have considerable applications in the fields such as catalysis, , extraction, and separation due to their negligible vapor pressure, high ionic conductivity, large temperature stability, and good solvent properties. − For a given application, the properties of ILs can be easily tuned by different cations and anions. , In particular, the alkyl chain length of cations plays an important role in the properties of ILs, including density, conductivity, surface tension, and diffusion coefficient. , However, the synthesis of ILs with a long alkyl chain usually takes a very long reaction time . For example, the reaction of aniline derivatives with a long alkyl chain requires a long time of 2–7 days at 70 °C without reaction kinetics parameters …”

Section: Introductionmentioning

confidence: 99%

“…3−5 For a given application, the properties of ILs can be easily tuned by different cations and anions. 6,7 In particular, the alkyl chain length of cations plays an important role in the properties of ILs, including density, conductivity, surface tension, and diffusion coefficient. 8,9 However, the synthesis of ILs with a long alkyl chain usually takes a very long reaction time.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Understanding the Reaction Kinetics and Microdynamics between Methylimidazole and Alkyl Thiocyanate for Ionic Liquid Synthesis through Experiments and Theoretical Calculation

Zhang

Zheng

Yang

et al. 2023

Ind. Eng. Chem. Res.

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Ionic liquids (ILs) are usually prepared via the Menshutkin S N 2 reaction. Herein, the effects of the alkyl chain length of the substrate on the reaction kinetics and microdynamics between 1methylimidazole (MIm) and alkyl thiocyanate (RSCN, R = methyl, ethyl, and butyl groups) for the preparation of thiocyanate-based ILs were analyzed by time-dependent Fourier transform infrared (FTIR) spectroscopy, classical molecular dynamics (MD) simulation, and ab initio molecular dynamics (AIMD) simulation. Experimental results show that the longer chain length of thiocyanate leads to a significantly slower rate constant and much higher activation energy. The rate constant of the MIm/BuSCN system is reduced by a factor of 21 fold compared to that of the MIm/MeSCN system at 330 K. The activation energy of the MIm/BuSCN system is increased by 27.5 kJ/mol in the MIm/MeSCN system. Metadynamics calculations in the explicit solvent offer a consistent trend for transition state energy barrier with experiments. MD simulations indicate that the long alkyl chain of thiocyanate results in a weaker spatial distribution of reaction sites as well as slower diffusion and reorientation, which can reduce the intermolecular collision probability. Hopefully, the insights from this work would guide the industrial synthesis of ILs.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Understanding the Reaction Kinetics and Microdynamics between Methylimidazole and Alkyl Thiocyanate for Ionic Liquid Synthesis through Experiments and Theoretical Calculation

Zhang

Zheng

Yang

et al. 2023

Ind. Eng. Chem. Res.

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show abstract

“…6−12 The combination of cations and anions can adjust the properties for the targeted applications. 13,14 However, the synthesis of ILs is usually carried out in a batch way without the known kinetics and takes an empirically long reaction time, especially for the ILs with long alkyl chain, 15,16 which results in little emphasis on the reaction process intensification from the point of industrial view.…”

Section: Introductionmentioning

confidence: 99%

“…As the next great class of environmentally friendly solvents/catalysts, ILs are becoming increasingly prevalent in a wide range of fields and applications, such as catalysis, extraction, and separation, , owing to the negligible vapor pressure, high ionic conductivity, large temperature stability, and good solvent properties. − The alkyl chain lengths of the cations in ionic liquids (ILs) play a crucial role in determining their physicochemical properties. The investigations related to the effect of the alkyl chain length of imidazolium (alkylimidazolium) cations on the properties of imidazolium-based ILs have attracted considerable attention, including density, polarizability, surface tension, conductivity, nanosegregation, diffusion, and thermal stabilities. − The combination of cations and anions can adjust the properties for the targeted applications. , However, the synthesis of ILs is usually carried out in a batch way without the known kinetics and takes an empirically long reaction time, especially for the ILs with long alkyl chain, , which results in little emphasis on the reaction process intensification from the point of industrial view.…”

Section: Introductionmentioning

confidence: 99%

Reaction Kinetics and Microenvironments between Alkylimidazole and Methylthiocyanate for the Synthesis of Ionic Liquids

Zheng,

Zhang,

Yang

et al. 2023

Ind. Eng. Chem. Res.

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The alkyl chain length of the alkylimidazole nucleophile plays an important role in the reaction and microenvironment behaviors for the synthesis of imidazolium-based ionic liquids with different alkyl chain lengths. Herein, the reaction kinetics and microenvironments between alkylimidazole (MIm, EIm, and BIm) and methylthiocyanate (MeSCN) were investigated to reveal the effects of the alkyl chain length of the imidazole nucleophile on the synthesis of the imidazole-based ILs using time-dependent Fourier transform infrared (FTIR) spectra and classical molecular dynamics (MD) simulations. Experimental results indicate that the BIm/MeSCN system shows a smaller reaction rate constant compared to the EIm/MeSCN system and MIm/MeSCN system, and an alkylimidazole nucleophile with a longer alkyl chain leads to a higher activation energy. MD simulations show that MeSCN possesses a decreased distribution near the alkyl chain and an increased distribution around the N atom with isolated electrons of alkylimidazole with a prolonged alkyl chain. In addition, the diffusion and reorientation dynamics of both alkylimidazole and MeSCN are slowed in the system with the longer-alkyl-chain alkylimidazole, which also contributes to the slower reaction rate. This work will provide a better understanding of the reaction and microenvironment behaviors to guide the synthesis of ILs with different alkyl chains.

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Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor

Yuan

Liu

Wang

et al. 2023

Chemical Engineering Journal

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Smart ionic liquid/water mixture system with dual stimuli-response to temperature and CO2

Cited by 8 publications

References 50 publications

Understanding the Reaction Kinetics and Microdynamics between Methylimidazole and Alkyl Thiocyanate for Ionic Liquid Synthesis through Experiments and Theoretical Calculation

Understanding the Reaction Kinetics and Microdynamics between Methylimidazole and Alkyl Thiocyanate for Ionic Liquid Synthesis through Experiments and Theoretical Calculation

Reaction Kinetics and Microenvironments between Alkylimidazole and Methylthiocyanate for the Synthesis of Ionic Liquids

Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor

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