Ideal Gas Heat Capacity and Critical Properties of HFE-Type Engineering Fluids: Ab Initio Predictions of Cpig, Modeling of Phase Behavior and Thermodynamic Properties Using Peng–Robinson and Volume-Translated Peng–Robinson Equations of State

Aminian, Ali; Celný, David; Mickoleit, Erik; Jäger, Andreas; Vinš, Václav

doi:10.1007/s10765-022-03006-z

Cited by 5 publications

(4 citation statements)

References 78 publications

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“…Average values of the standard deviation of the correlated parameters are also provided. Critical temperature T crit was taken from Aminian et al [28]. Values of parameter A are approximately 4 % higher than the critical density ρ crit estimated recently by Aminian et al [28].…”

Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 90%

“…In general, various values for N usually in the range from 0.1 to 0.5 are used when representing low-pressure experimental data; e.g., as reported by Outcalt et al [4,27]. Except for HFE-7000, exponent N was set equal to 0.30 which provides good representation of all available density data by achieving acceptable reproduction of the critical point estimated by Aminian et al [28]. Table 10 summarizes parameters of Eq.…”

Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 99%

“…Critical temperature T crit was taken from Aminian et al [28]. Values of parameter A are approximately 4 % higher than the critical density ρ crit estimated recently by Aminian et al [28]. It shall be emphasized that correlation (2) is based on the experimental data in the temperature range typically from 273 K to 363 K. However, it is expected to provide reasonable prediction for the saturated liquid density also at higher temperatures as it follows the temperature trend towards the critical point density.…”

Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 99%

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Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

Prokopová

Blahut

Hajduch

et al. 2023

Preprint

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Hydrofluoroethers (HFEs) represent a new family of promising engineering fluids suitable for technical cleaning, cooling of electronic and magnetic devices or as admixtures in refrigerant blends. Here we report accurate data for the liquid density at 0.1\,MPa and temperatures from $273.15\,\mathrm{K}$ to $343.15\,\mathrm{K}$ for a series of five HFEs; namely HFE-7000, HFE-7100, HFE-7200, HFE-7300, and HFE-7500. A highly sensitive vibrating tube densimeter with a borosilicate glass U-tube calibrated according to the procedure by Prokopov\'{a} et al. [J. Chem. Thermodyn. 173 (2022) 106855] provided density data with an expanded uncertainty ($k=2$) of $0.13\,\mathrm{kg\cdot m^{-3}}$. Influences such as sample degassing, water content or sample temperature before its dosing into the densimeter are discussed. Thanks to the high sensitivity of the used densimeter, an unexpected shift in the density of different HFE-7100 and HFE-7200 liquid samples was detected. Unlike other HFEs, HFE-7100 and HFE-7200 are mixtures of two hardly separable isomers, which were so far considered having identical thermophysical properties. Utilizing nuclear magnetic resonance spectroscopy, the ratio of \textit{n}-isomer and \textit{iso}-isomer was inspected for various liquid samples. In the range of \textit{iso}-isomer mole fraction from 0.61 to 0.77, the new measurements revealed density differences of more than $5\,\mathrm{kg\cdot m^{-3}}$ in case of HFE-7100 and of about $3\,\mathrm{kg\cdot m^{-3}}$ in case of HFE-7200. Consequently, for some applications the properties of different HFE isomers cannot be considered identical. The Rackett-type correlation for the saturated liquid density was fitted using the new and the literature data.

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Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 90%

Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 99%

Section: Temperature Correlation For Saturated Liquid Density Of Hfesmentioning

confidence: 99%

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Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

Prokopová

Blahut

Hajduch

et al. 2023

Preprint

Self Cite

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“…Chemical engineering requires precise thermodynamic data and calculations for different purposes such as process design, and it means using the equation of state as one of the most important tools in thermodynamic would be necessary for calculations and modeling. − Accordingly, selecting the proper equation of state is crucial for chemical engineering purposes between the numerous models. − On the other hand, statistical mechanics includes equation of states that uses microscopic information from quantum mechanics of a certain system, processes it, and calculates macroscopic measurable variables. − One of the most successful equations of states is Perturbation chain- statistical associated fluid theory (PC-SAFT) that has been applied for modeling of the mixture’s thermodynamic properties. − A molecule is assumed as a hard chain consisting of hard spheres in PC-SAFT by imposing first- and second-order thermodynamic perturbations. , Also, different terms have been added to extend the model for different varieties of the molecules. − …”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Properties of Binary Mixtures Containing Ionic Liquid 1-Butyl-3-methylimidazolium Thiocyanate and Ethanolamines at Different Temperatures: Measurement and PC-SAFT Modeling

Gharehzadeh Shirazi,

Shahabadi,

Shekaari

et al. 2023

J. Chem. Eng. Data

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Thermodynamic properties of liquid absorbents are important for industrial applications. Ionic liquids (ILs) are more efficient alternatives to organic solvents that are used for CO2 absorption and storage. The IL, 1-butyl-3-methylimidazolium thiocyanate ([BMIM] [SCN]) with ethanolamines are considered as an efficient material for gas absorption. The density and speed of sound for a full-range concentration of binary ([BMIM] [SCN] + ethanolamine (MEA)/diethanolamine (DEA)/triethanolamine (TEA)) systems have been measured at (288.15 – 318.15) K, and excess molar properties as nonideality of the mixtures has been calculated. The conductor-like screening model (COSMO) as a microscopic approach has been used to calculate the PC-SAFT equation of state parameters, prediction the density of the studied mixtures, and compare the experimentally obtained parameters of PC-SAFT. The excess molar volumes for systems containing IL + monoethanolamine are positive while negative for DEA and TEA. Also, the excess isentropic compressibilities for the studied mixtures are negative at all temperatures. The PC-SAFT equation of state as a microscopic approach for interpreting the molecular interactions is an efficient model in predicting thermodynamic properties. The results indicate that increasing OH groups of ethanolamines enhances their interactions with IL molecules.

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Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

et al. 2023

View full text Add to dashboard Cite

Hydrofluoroethers (HFEs) represent a new family of promising engineering fluids suitable for technical cleaning and cooling of electronic and magnetic devices or as admixtures in refrigerant blends. Here, we report accurate data for the liquid density at 0.1 MPa and temperatures from $$273.15\,\text{K}$$ 273.15 K to $$343.15\,\text{K}$$ 343.15 K for a series of five HFEs, namely, HFE-7000, HFE-7100, HFE-7200, HFE-7300, and HFE-7500. A highly sensitive vibrating tube densimeter with a borosilicate glass U-tube calibrated according to the procedure by Prokopová et al. (J Chem Thermodyn 173:106855, 2022) provided density data with an expanded uncertainty ($$k=2$$ k = 2 ) of $$0.13\,\text{kg}\cdot \text{m}^{-3}$$ 0.13 kg · m - 3 . Influences such as sample degassing, water content, or sample temperature before its dosing into the densimeter are discussed. Thanks to the high sensitivity of the used densimeter, an unexpected shift in the density of different HFE-7100 and HFE-7200 liquid samples was detected. Unlike other HFEs, HFE-7100 and HFE-7200 are mixtures of two hardly separable isomers, which were so far considered having identical thermophysical properties. Utilizing nuclear magnetic resonance spectroscopy, the ratio of n-isomer and iso-isomer was inspected for various liquid samples. In the range of iso-isomer mole fraction from 0.61 to 0.77, the new measurements revealed density differences of more than $$5\,\text{kg}\cdot \text{m}^{-3}$$ 5 kg · m - 3 in case of HFE-7100 and of about $$3\,\text{kg}\cdot \text{m}^{-3}$$ 3 kg · m - 3 in case of HFE-7200. Consequently, for some applications, the properties of different HFE isomers cannot be considered identical. The Rackett-type correlation for the saturated liquid density was fitted using the new and the literature data.

show abstract

Ideal Gas Heat Capacity and Critical Properties of HFE-Type Engineering Fluids: Ab Initio Predictions of Cpig, Modeling of Phase Behavior and Thermodynamic Properties Using Peng–Robinson and Volume-Translated Peng–Robinson Equations of State

Cited by 5 publications

References 78 publications

Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

Thermodynamic Properties of Binary Mixtures Containing Ionic Liquid 1-Butyl-3-methylimidazolium Thiocyanate and Ethanolamines at Different Temperatures: Measurement and PC-SAFT Modeling

Influence of Isomeric Composition and Sample Handling on the Liquid Density of Hydrofluorethers Measured by Vibrating Tube Densimeter at 0.1 MPa

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