Influence of alkyl substituent on thermophysical properties and CO2 absorption studies of diethylenetriamine- based ionic liquids

Das, Indrajit; Swami, K. Rama; Gardas, Ramesh L.

doi:10.1016/j.molliq.2022.121114

Cited by 13 publications

(6 citation statements)

References 70 publications

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“…Longer alkyl chain lengths not only result in heavier and bulkier molecular structures but also contribute to stronger van der Waals attractions among the aliphatic alkyl chains, which cause higher viscosity in the case of ILs with longer carbon chain lengths. 65–68 The temperature dependent viscosity of both the ionic liquids is most accurately described by the Vogel–Tammann–Fulcher (VTF) equation, eqn (5),where η o , B and T o are adjustable parameters and the T o value is obtained from the existing literature. 69 All parameter values along with the average regression values are presented in Table 6.…”

Section: Resultsmentioning

confidence: 99%

Section: Temperature-dependent Viscosity Of the Media And Comparison ...mentioning

confidence: 99%

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Probing the heterogeneity of molecular level organization of ionic liquids: a comparative study using neutral Nile red and cationic Nile blue sulfate as fluorescent probes for butyrolactam-based protic ionic liquids

Dash,

Gardas,

Mishra

2024

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 99%

Section: Temperature-dependent Viscosity Of the Media And Comparison ...mentioning

confidence: 99%

Probing the heterogeneity of molecular level organization of ionic liquids: a comparative study using neutral Nile red and cationic Nile blue sulfate as fluorescent probes for butyrolactam-based protic ionic liquids

Dash,

Gardas,

Mishra

2024

Phys. Chem. Chem. Phys.

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“…Not only cations but also anions of ILs have major impact on deciding the physicochemical properties of ILs and significantly affects the performance of EDLCs when applied as electrolytes. , The fluoro group containing anions in ILs shows better performance as electrolytes compared to non-fluoro ILs. Zhang et al studied EMIM methyl sulfate, EMIM-HSO 4 – ; EMIM-TFSI, PMPI-OTf, PMPI-TFSI with ACN.…”

Section: Ionic Liquids As Electrolytes In Supercapacitorsmentioning

confidence: 99%

“…Not only cations but also anions of ILs have major impact on deciding the physicochemical properties of ILs and significantly affects the performance of EDLCs when applied as electrolytes. 132,133 The fluoro group containing anions in ILs shows better perform- 12b). Even after 1000 cycles, the capacitance retention was up to 90−94%.…”

Section: Effect Of Anionmentioning

confidence: 99%

A Comprehensive Review of Novel Emerging Electrolytes for Supercapacitors: Aqueous and Organic Electrolytes Versus Ionic Liquid-Based Electrolytes

Saha,

Kumar,

Kanaoujiya

et al. 2024

Energy Fuels

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Storage of energy is essential to meet the daily demand for powering portable devices. This necessitates the development of storage systems such as supercapacitors (SCs), batteries, and solar cells. SCs have garnered a lot of attention for their ability to provide a massive amount of power. Nevertheless, traditional mechanisms fall short of our expectations. Ionic liquids (ILs), the evolutionary green designer solvents, are efficient enough to substitute for conventional electrolytes such as aqueous or organic electrolytes in SCs. A limited potential window of aqueous electrolytes restricts the performance of high energy electrodes. In contrast, organic electrolytes with high volatility, flammability, and lack of tunability are not suitable for long-term and robust applications. Beneficial properties of ILs such as negligible volatility, high thermal, chemical, and electrochemical stability have overcome many restrictions in SCs and improved their overall performances. ILs can be used as standalone electrolyte or can be mixed with organic electrolytes, redox elements, and polymers to obtain electrolytes for SCs. The structure of anions and cations has been found to significantly influence overall electrochemical performances. ILs benefit SCs with a wider working voltage, temperature range, and better energy density. ILs have been utilized not only as electrolytes but also in the synthesis of electrode materials. Consequently, it is essential to discuss recent findings and the function of ILs in achieving higher-performing SCs. This review mainly highlights the most recent findings on the use of ILs-based electrolytes and electrodes in supercapacitors.

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“…The feature S12 is related to the anion polarity and anion acceptor capability; the higher the value of S12, the greater the polarity and, hence, the stronger the hydrogen bond acceptor capability. For instance, recently, Das et al 74 reported the speed of sound in diethylenetriaminebased ILs by varying the alkyl chain lengths of carboxylateanions (formate, acetate, butyrate, and octanoate). It has been reported that as the polarity of an anion increases, the speed of sound in ILs increases, and the present SHAP observations are in line with these experiments.…”

Section: Measured the Speed Of Sound In [C 3 Mim][tf 2 N] And [C 5 Mi...mentioning

confidence: 99%

Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids

Mohan

Smith

Demerdash

et al. 2023

ACS Sustainable Chem. Eng.

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Ionic liquids (ILs) have unique solvent properties and have thus garnered significant interest. However, exhaustive experimental determination of the physicochemical properties of ILs is unrealistic due to the large structural diversity of anions and cations, their high cost, the requirements of elevated temperature and pressure, and the time required. To circumvent these experimental costs, computational approaches to accurately calculate these properties have emerged. In the present study, we present a demonstration of two machine learning (ML) models for the prediction of two critical IL physical properties, the surface tension and the speed of sound, across a wide range of temperatures and pressures. The models make use of molecular descriptors derived from the COSMO-RS, a quantum chemical-based model. The ML models show excellent agreement with experimental observations, with an R 2 value of 0.96–0.99 and RMSE of 1.71 mN/m and 16.12 m/s for the surface tension and speed of sound, respectively. This work paves the way for the development of COSMO-RS-informed ML models for the prediction of IL properties which can help to further optimize and accelerate technology development for ILs.

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Influence of alkyl substituent on thermophysical properties and CO2 absorption studies of diethylenetriamine- based ionic liquids

Cited by 13 publications

References 70 publications

Probing the heterogeneity of molecular level organization of ionic liquids: a comparative study using neutral Nile red and cationic Nile blue sulfate as fluorescent probes for butyrolactam-based protic ionic liquids

Probing the heterogeneity of molecular level organization of ionic liquids: a comparative study using neutral Nile red and cationic Nile blue sulfate as fluorescent probes for butyrolactam-based protic ionic liquids

A Comprehensive Review of Novel Emerging Electrolytes for Supercapacitors: Aqueous and Organic Electrolytes Versus Ionic Liquid-Based Electrolytes

Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids

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