Ionic Liquids as Thermal Energy Storage Materials: On the Importance of Reliable Data Analysis in Assessing Thermodynamic Data

Bendová, Magdalena; Čanji, Maja; Wagner, Z.; Bogdanov, Milen G.

doi:10.1007/s10953-018-0798-9

Cited by 13 publications

(11 citation statements)

References 44 publications

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“…In addition, a number of further IL data have been provided by the National Institute of Standards and Technology [262]. In the meantime, a number of recent papers have been published presenting further heat-capacity data of ILs [263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287].…”

Section: Resultsmentioning

confidence: 99%

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Naef

2019

Molecules

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A universally applicable method for the prediction of the isobaric heat capacities of the liquid and solid phase of molecules at 298.15 K is presented, derived from their “true” volume. The molecules’ “true” volume in A3 is calculated on the basis of their geometry-optimized structure and the Van-der-Waals radii of their constituting atoms by means of a fast numerical algorithm. Good linear correlations of the “true” volume of a large number of compounds encompassing all classes and sizes with their experimental liquid and solid heat capacities over a large range have been found, although noticeably distorted by intermolecular hydrogen-bond effects. To account for these effects, the total amount of 1303 compounds with known experimental liquid heat capacities has been subdivided into three subsets consisting of 1102 hydroxy-group-free compounds, 164 monoalcohols/monoacids, and 36 polyalcohols/polyacids. The standard deviations for Cp(liq,298) were 20.7 J/mol/K for the OH-free compunds, 22.91 J/mol/K for the monoalcohols/monoacids and 16.03 J/mol/K for the polyols/polyacids. Analogously, 797 compounds with known solid heat capacities have been separated into a subset of 555 OH-free compounds, 123 monoalcohols/monoacids and 119 polyols/polyacids. The standard deviations for Cp(sol,298) were calculated to 23.14 J/mol/K for the first, 21.62 J/mol/K for the second, and 19.75 J/mol/K for the last subset. A discussion of structural and intermolecular effects influencing the heat capacities as well as of some special classes, in particular hydrocarbons, ionic liquids, siloxanes and metallocenes, has been given. In addition, the present method has successfully been extended to enable the prediction of the temperature dependence of the solid and liquid heat capacities in the range between 250 and 350 K.

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Section: Resultsmentioning

confidence: 99%

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Naef

2019

Molecules

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“…Heat capacity was then measured in the temperature range from 20 to 70 1C (293 to 343 K) for the base IL and INF samples by a continuous method at a heating rate of 0.3 K min À1 . As stated by the manufacturer, the uncertainty of the DSC device is of AE0.2 K for temperature, 25,26 whereas the heat flow uncertainty based on the sensor's sensitivity is of AE200 mW. 14 A SCALTEC SBC 21 was used for weighing the measured samples in the measurement cell.…”

Section: Preparation Of Ionanofluidsmentioning

confidence: 99%

A study of changes in the heat capacity of carbon nanotube-based ionanofluids prepared from a series of imidazolium ionic liquids

Parmar

Bendová

Wagner

et al. 2022

Phys. Chem. Chem. Phys.

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“…Due to the wide range of possible ILs, each with different chemical and physical properties, they are often described as “designer” liquids [ 3 ]. These characteristics make them potential candidates for various applications such as separation processes [ 4 ], heat transfer fluids [ 5 ], thermal energy storage [ 6 ], batteries [ 7 ], fuel cells [ 8 ], and tribology, both as lubricants [ 9 ] and lubricant additives [ 10 ], and even space technology [ 11 ]. Improvements in IL synthesis technology in recent years has also facilitated their large-scale production [ 12 ].…”

Section: Introductionmentioning

confidence: 99%

Group Contribution Estimation of Ionic Liquid Melting Points: Critical Evaluation and Refinement of Existing Models

et al. 2021

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While several group contribution method (GCM) models have been developed in recent years for the prediction of ionic liquid (IL) properties, some challenges exist in their effective application. Firstly, the models have been developed and tested based on different datasets; therefore, direct comparison based on reported statistical measures is not reliable. Secondly, many of the existing models are limited in the range of ILs for which they can be used due to the lack of functional group parameters. In this paper, we examine two of the most diverse GCMs for the estimation of IL melting point; a key property in the selection and design of ILs for materials and energy applications. A comprehensive database consisting of over 1300 data points for 933 unique ILs, has been compiled and used to critically evaluate the two GCMs. One of the GCMs has been refined by introducing new functional groups and reparametrized to give improved performance for melting point estimation over a wider range of ILs. This work will aid in the targeted design of ILs for materials and energy applications.

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Ionic Liquids as Thermal Energy Storage Materials: On the Importance of Reliable Data Analysis in Assessing Thermodynamic Data

Cited by 13 publications

References 44 publications

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

A study of changes in the heat capacity of carbon nanotube-based ionanofluids prepared from a series of imidazolium ionic liquids

Group Contribution Estimation of Ionic Liquid Melting Points: Critical Evaluation and Refinement of Existing Models

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