Prediction of the viscosity of imidazolium-based ionic liquids at different temperatures using the quantitative structure property relationship approach

Koi, Zi Kang; Yahya, Wan Zaireen Nisa; Talip, Ruwaida Asyikin Abu; Kurnia, Kiki A.

doi:10.1039/c9nj03436f

Cited by 37 publications

(20 citation statements)

References 48 publications

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“…Further efforts need to be made to explore other cations and anions, as different combinations of cation and anion may provide different physical and chemical properties. This can be performed with the help of the existing predictive modelling that will save time and cost [55] in designing and selecting potential ILs for the desired needs. Another way to completely eradicate the problems that revolve around the use of liquid-based electrolyte is to use a solid-state electrolyte.…”

Section: Challenges and Future Directionsmentioning

confidence: 99%

Ionic Liquids Roles and Perspectives in Electrolyte for Dye-Sensitized Solar Cells

2020

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Exploration of renewable energy, such as solar energy, is imminent not only to cater to the escalating energy demand but also to address the uprising environmental issues due to heavy usage of non-renewable fossil fuel. The dye-sensitized solar cells (DSSCs) which are considered as the third-generation solar cells, have a huge potential to be commercialized due to their low cost, simplicity in fabrication, and promising photon-to-electrical energy conversion efficiency. Nevertheless, a high cell efficiency can only be achieved when an organic solvent is incorporated into the formulation of the electrolyte, which is prone to evaporation and leakage. As a result, DSSCs become unsuitable for long-run usage due to thermal instability in the electrolyte. The early intention of incorporating ionic liquids (ILs) into the electrolyte was to curb the abovementioned problem and to enable the DSSCs to function as a sustainable energy device. As such, this article briefly reviews how ILs have been incorporated into the electrolyte formulation and the extent of how the ILs can affect the cell efficiency in various electrolyte states. The role of the ILs in a range of electrolytes is also highlighted. This sheds light on the true purpose of introducing ILs into DSSC electrolyte, which is to enhance the ionicity of the electrolyte.

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Section: Challenges and Future Directionsmentioning

confidence: 99%

Ionic Liquids Roles and Perspectives in Electrolyte for Dye-Sensitized Solar Cells

2020

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“…High viscosity values hinder ion transport, limiting some electrochemical applications, such as batteries, solar cells, or electrochemical capacitors. As with all the properties of ILs, viscosity varies with different combinations of cations and anions [23] since it depends on intermolecular forces such as van der Waals forces, hydrogen bonding, and Coulombic forces [24–26] . Similarly, the ionic conductivity of a solvent is fundamental in its selection for any electrochemical application, [9] mainly because the performance of these devices is strongly dependent on the rate of transport or diffusion of the electroactive species to and from the electrode [25,27] .…”

Section: Introductionmentioning

confidence: 99%

Four Phosphonium‐based Ionic Liquids. Synthesis, Characterization and Electrochemical Performance as Electrolytes for Silicon Anodes

et al. 2022

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Herein, we describe the synthesis, characterization and electrochemical performance of four phosphonium‐based ionic liquids (ILs) as electrolytes, Physicochemical properties such as viscosity, density, ionic conductivity, and thermal stability of ILs and conventional organic solvent ethylene carbonate (EC)/diethyl carbonate (DEC) were experimentally determined at different temperatures. All ILs showed thermal stability greater than 300 °C, surpassing the stability of the conventional organic solvent, whose flash points were 145 and 23 °C for EC and DEC, respectively. Nevertheless, at room temperature, all ILs are much more viscous than EC/DEC. The composite Si ‐[P2224][FSI] (triethyl‐n‐butylphosphonium bis(fluoromethylsulfonyl)imide) and Si‐EC/DEC anodes exhibit initial specific capacities at 0.15 A/g of 2409 and 2631 mAh/g, respectively. This demonstrates that despite the inferior transport properties of ILs, short alkyl‐substituted phosphonium ILs like [P2224][FSI] are potentially competitive for the new generation of electrolytes for LIBs. NMR, DSC, TGA, and galvanostatic discharged/charged were used as characterization techniques.

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“…The approach is innovative however, the results are modest. Other authors tested linear [20][21][22][23][24][25] and non-linear [20,24] methods in order to correlate and predict viscosities of single ILs at variable temperature [20][21][22][23][24][25] and also pressure [20,23,24] with acceptable predictive ability. The test set selection form is random.…”

Section: Resultsmentioning

confidence: 99%

Machine‐Learning Approaches to Tune Descriptors and Predict the Viscosities of Ionic Liquids and Their Mixtures

Carrera

Ponte

2020

Chemistry Methods

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This work consists on a new chemoinformatic approach based on two complementary artificial intelligence concepts. Random Forest and Kohonen neural network are applied on this context. The former provides a relevance measure of the numerical descriptors encoding either an ionic liquid or its mixtures. The code of a given chemical system is weighted according that relevance measure. The Kohonen neural network is trained with a set of weighted chemical systems. The next step comprises the use of the trained neural network as platform to obtain a tuned profile of numerical descriptors representing a generical chemical system. The tuning mechanism involves the topology of a chemical system-encoding vector in the neural network. The last step comprises the use of the tuned chemical systems to build predictive models of viscosities. The MOLMAP encoding technology is applied to represent ionic liquid systems and its mixtures.

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Prediction of the viscosity of imidazolium-based ionic liquids at different temperatures using the quantitative structure property relationship approach

Abstract: A multilinear relationship between the viscosity and interaction energies using a stepwise model-building approach was applied to generate the correlation model.

Cited by 37 publications

References 48 publications

Ionic Liquids Roles and Perspectives in Electrolyte for Dye-Sensitized Solar Cells

Ionic Liquids Roles and Perspectives in Electrolyte for Dye-Sensitized Solar Cells

Four Phosphonium‐based Ionic Liquids. Synthesis, Characterization and Electrochemical Performance as Electrolytes for Silicon Anodes

Machine‐Learning Approaches to Tune Descriptors and Predict the Viscosities of Ionic Liquids and Their Mixtures

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