Transport properties of pure and mixture of ionic liquids from new rough hard-sphere-based model

Hosseini, Sayed Mostafa; Alavianmehr, Mohammad Mehdi; Moghadasi, Jalil

doi:10.1016/j.fluid.2016.09.004

Cited by 27 publications

(24 citation statements)

References 104 publications

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“…Therefore, in recent years, the investigation of ILs and their various properties has become particularly intensive, and the amount of pertinent literature has become immense. The experimental data on thermophysical and transport properties have been summarized by Abildskov and O’Connell, Dzida et al, and Aparicio et al Several recent studies − have also been focused on predicting and correlating these properties in pure ILs and their mixtures.…”

Section: Introductionmentioning

confidence: 99%

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

Polishuk

2017

Ind. Eng. Chem. Res.

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In this study, simple molecular-weight-based correlations for the CP-PC-SAFT parameters for [C n mim][NTf 2 ] ionic liquids have been developed. These correlations allow a nearly precise modeling of densities, including at elevated pressures and at temperatures up to ∼400 K, as well as accurate predictions of the isobaric heat capacities, velocities of sound, and compressibilities. The accuracy of these predictions is superior to that of ePC-SAFT. The available data reveal that solubilities of gases are directly related to their critical temperatures. As the critical temperatures increase, the gas−IL systems become more symmetric, and the solubilities increase. The intrinsic robustness of the CP-PC-SAFT model, along with its agreement with the pure-compound critical temperatures, give this model the capability to accurately predict VLE in [C n mim][NTf 2 ] systems of various gases, such as CO, O 2 , CH 4 , Kr, N 2 O, H 2 S, SO 2 , R134a, R1234ze(E), and CO 2 , without prior consideration of any mixture data or adjustment of binary parameters. At the same time, the entirely predictive implementation of the model poses unavoidable compromises in its accuracy. In particular, it overestimates LLE in the system R134a− [C 6 mim][NTf 2 ] and substantially underestimates the extent of phase splits in CO 2 solutions above ∼50 bar. The latter flaw can be corrected by implementing a universal set of binary adjustable parameters. Similar accuracy of modeling can also be achieved with this set of binary parameters and with their zero values in the cases of additional CO 2 −[NTf 2 − ] IL systems.

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Section: Introductionmentioning

confidence: 99%

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

Polishuk

2017

Ind. Eng. Chem. Res.

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“…where Z HS denotes the compression factor of hard-sphere fluid taken from Carnahan-Starling equation: where, y represents the packing fraction of hard-sphere fluid defined as: 361,363 y b 4 = (12. 13) In eq 12.…”

Section: Description Of Hard-sphere Scheme Of Gacinõ Et Almentioning

confidence: 99%

Viscosity of Ionic Liquids: Theories and Models

Gao,

Yang,

Wang

et al. 2023

Chem. Rev.

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Ionic liquids (ILs) offer a wide range of promising applications due to their unique and designable properties compared to conventional solvents. Further development and application of ILs require correlating/predicting their pressure−viscosity−temperature behavior. In this review, we firstly introduce methods for calculation of thermodynamic inputs of viscosity models. Next, we introduce theories, theoretical and semi-empirical models coupling various theories with EoSs or activity coefficient models, and empirical and phenomenological models for viscosity of pure ILs and IL-related mixtures. Our modelling description is followed immediately by model application and performance. Then, we propose simple predictive equations for viscosity of IL-related mixtures and systematically compare performances of the above-mentioned theories and models. In concluding remarks, we recommend robust predictive models for viscosity at atmospheric pressure as well as proper and consistent theories and models for P−η−T behavior. The work that still remains to be done to obtain the desired theories and models for viscosity of ILs and IL-related mixtures is also presented. The present review is structured from pure ILs to IL-related mixtures and aims to summarize and quantitatively discuss the recent advances in theoretical and empirical modelling of viscosity of ILs and IL-related mixtures.

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“…To the best of our knowledge, this is the first viscosity modeling attempt on a ternary reciprocal system and all its common-ion binary subsystems below the melting point of the corresponding pure components. The majority of viscosity models presented in the literature based on free volume theory, , hard-sphere theory, Eyring activated-state theory, , and the geometric similitude concept do not feature a composition dependence adapted to ternary reciprocal mixtures and formally treat them as binary mixtures. Fillion and Brennecke pointed out this limitation in common mixing laws for viscosity such as Grunberg–Nissan and proposed a simple approach to describe the viscosity of ternary reciprocal mixtures using the contribution of all possible pure ionic liquids obtained by the combination of cations [A] + and [B] + and anions [X] − and [Y] − .…”

Section: Introductionmentioning

confidence: 99%

Viscosity of a Ternary Reciprocal System Consisting of 1-Alkylpyridinium Halides

Bouarab

Stolarska

Harvey

et al. 2020

Ind. Eng. Chem. Res.

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Ionic liquid mixtures with both different cations and anions (i.e., ternary reciprocal mixtures) are often formally treated as binary mixtures. Mixing laws for binary mixtures are inappropriate for ternary reciprocal mixtures as they do not account for both attractive and repulsive interactions between ions in those liquids. In this work, the viscosity of the [C 2 py], [C 4 py] // Cl, Br ternary reciprocal system (where [C n py] = 1-alkylpyridinium) and all its common-ion binary and unary subsystems was measured over the entire composition range from temperatures close to the liquidus up to about 200 °C. A new viscosity model was proposed to describe the viscosity of ternary reciprocal mixtures more rigorously by accounting for all ion−ion interactions. The robustness of the proposed viscosity model was discussed in comparison with other approaches proposed in the literature. Anomalous discrepancies for the low-temperature viscosity data were observed close to the center of the reciprocal square (consisting of an equimolar mixture of the four pure salts [C 2 py]Cl, [C 2 py]Br, [C 4 py]Cl, and [C 4 py]Br) and could not be accounted for by any of the approaches considered.

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Transport properties of pure and mixture of ionic liquids from new rough hard-sphere-based model

Cited by 27 publications

References 104 publications

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

Viscosity of Ionic Liquids: Theories and Models

Viscosity of a Ternary Reciprocal System Consisting of 1-Alkylpyridinium Halides

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