Simultaneous representation of thermodynamic properties and viscosities of ILs/DESs+co-solvent systems by Eyring-NRTL model

Zuo, Zhida; Sun, Yunhao; Lü, Xiaohua; Ji, Xiaoyan

doi:10.1016/j.fluid.2021.113176

Cited by 6 publications

(14 citation statements)

References 46 publications

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“…The first two terms in eq 17.6 were considered as the "ideal mixing part", and the second term as the "excess part". 503 Because there is a close analogy between the excess activation energy for the flow process and the respective excess free energy of mixing, 496,500,504−508 the "excess part", G E ≠ /RT, could function by any form of the excess Gibbs free energy function.…”

Section: Eyring's Absolute Rate Theorymentioning

confidence: 99%

“…G E ≠ is a close analogy to excess molar free energy of mixture and is the excess molar free energy of activation for flow . Accordingly, the viscosity of nonideal mixtures can be described by: − ln false( η normalm V normalm false) = ∑ i = 1 K x i normalln ( η i V i ) + G E ≠ R T with V m = ∑ i = 1 K x i V i where K is number of components and the subscripts of m and i denote the mixture and component. The first two terms in eq were considered as the “ideal mixing part”, and the second term as the “excess part” .…”

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

“…Accordingly, the viscosity of nonideal mixtures can be described by: − ln false( η normalm V normalm false) = ∑ i = 1 K x i normalln ( η i V i ) + G E ≠ R T with V m = ∑ i = 1 K x i V i where K is number of components and the subscripts of m and i denote the mixture and component. The first two terms in eq were considered as the “ideal mixing part”, and the second term as the “excess part” . Because there is a close analogy between the excess activation energy for the flow process and the respective excess free energy of mixing, ,,− the “excess part”, G E ≠ / RT , could function by any form of the excess Gibbs free energy function …”

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

“…The Eyring−NRTL equation for binary systems is written in the form: , left ln false( η normalm V normalm false) = x 1 ln false( η 1 V 1 false) + x 2 ln false( η 2 V 2 false) + x 1 x 2 true( τ 21 normalexp ( − α τ 21 ) x 1 + x 2 normalexp ( − α τ 21 ) + τ 12 normalexp ( − α τ 12 ) x 2 + x 1 normalexp ( − α τ 12 ) true) There are three parameters, α , Δ g 12 , and Δ g 21 , in eq <...…”

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

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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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Section: Eyring's Absolute Rate Theorymentioning

confidence: 99%

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

Section: Eyring’s Absolute Rate Theory For Viscosity Of Il-related Mi...mentioning

confidence: 99%

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Viscosity of Ionic Liquids: Theories and Models

Gao,

Yang,

Wang

et al. 2023

Chem. Rev.

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“…The first approach is from the macroscopic scale, based on semitheoretical models such as Eyring’s model − and entropy-scaling models. − The second approach is from the microscopic scale, based on molecular simulation approaches. , Wei and Rowley, as well as Cao et al, determined the parameters of the thermodynamic model from vapor–liquid equilibrium (VLE) data and then predicted the viscosities of binary liquid mixtures via combining with the Eyring’s model. In our previous study, we combined the nonrandom two-liquid model (NRTL) with the Eyring’s model to investigate how to simultaneously represent the excess thermodynamic properties and viscosities of ionic liquid (IL) mixtures. The models based on Eyring’s theory are mainly restricted to describing the excess viscosity of liquid mixtures, and the studies of the self-diffusion coefficient of liquid mixtures are limited.…”

Section: Introductionmentioning

confidence: 99%

Modeling Self-Diffusion Coefficient and Viscosity of Chain-like Fluids Based on ePC-SAFT

Zuo,

Lu,

2023

J. Chem. Eng. Data

Self Cite

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In this work, we developed a new self-diffusion coefficient model for chain-like fluids, which was coupled with the SE equation to simultaneously describe transport properties (i.e., self-diffusion coefficient and viscosity) using the parameters obtained from thermodynamic properties. In modeling, the selfdiffusion coefficient model was developed based on the diffusion coefficient of LJ spherical fluids by incorporating a correction function to describe the characteristics of chain-like molecules. Subsequently, the SE equation was used to calculate the viscosity. Based on the molecular parameters in ePC-SAFT (i.e., segment number N, segment diameter σ, and energy parameter ε/k B ), one set of universal parameters was determined from the self-diffusion coefficients and viscosities of 19 n-alkanes (C 2 H 4 −C 20 H 42 ) at various temperatures and pressures. The model reproduces the experimental self-diffusion coefficient data (804 data points) with an average ARD of 8.4% and the experimental viscosity data (1539 data points) with an average ARD of 7.2% for 19 n-alkanes over wide ranges of temperature and pressure. Furthermore, the viscosity and self-diffusion coefficient of the other 17 compounds, including long n-alkanes, branched alkanes, and cyclic compounds, were predicted, and among them, the relatively poor prediction results of branched alkanes and cyclic compounds were further discussed. Finally, the proposed model was extended to ionic liquids, generally providing reliable results for these complex fluids. This study suggests that it is possible to describe the thermodynamic and transport properties with one set of molecular parameters based on ePC-SAFT.

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