Vapour-phase (p, ρ, T, x) behaviour and virial coefficients for the (ethane + carbon dioxide) system

Yang, Xiaoxian; Souissi, Mohamed A. Ben; Kleinrahm, Reiner; Richter, Markus

doi:10.1016/j.jct.2018.02.021

Cited by 6 publications

(16 citation statements)

References 49 publications

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“…Deviations of experimental data, an experimentally based correlation, and calculated values for the cross second virial coefficient of the CO 2 –C 2 H 6 molecule pair from the semiclassically calculated values of this work as a function of temperature: ●, Katayama et al; ○, Holste et al; ■, Jaeschke; □, Jaeschke et al; ◇, McElroy et al; ◆, Weber; △, Hou et al; ▲, Yang et al; solid line, correlation by Dymond et al; dashed line, semiclassical result for the unadjusted CO 2 –C 2 H 6 PES; dash-dot line, classical result for the adjusted CO 2 –C 2 H 6 PES; dotted lines, B 12 QFH ± U ( B 12 QFH ) with k = 2.…”

Section: Resultsmentioning

confidence: 80%

“…The calculated values for the cross second virial coefficient of the CO 2 –C 2 H 6 molecule pair are compared with most of the existing experimental data − and with the experimentally based correlation of Dymond et al in Figure . The error bars shown in this and all following figures always correspond to those given by the respective authors.…”

Section: Resultsmentioning

confidence: 91%

“…The error bars shown in this and all following figures always correspond to those given by the respective authors. It should be stressed that none of the available data sets for the CO 2 −C 2 H 6 molecule pair extend to temperatures below 250 K or above 353 K. The data of Holste et al, 46 Hou et al, 51 and Yang et al 52 were used to guide the empirical adjustment of the analytical potential function described in section 2.2. The adjustment procedure changes the cross second virial coefficient by −10.2 cm 3 •mol −1 at 150 K, by −2.3 cm 3 •mol −1 at 300 K, and by −0.4 cm 3 •mol −1 at 1200 K and improves the agreement with the experimental data substantially.…”

Section: Calculation Of Thermophysical Propertiesmentioning

confidence: 99%

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Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces

Hellmann

2019

J. Chem. Eng. Data

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The cross second virial coefficients and dilute gas shear viscosities, thermal conductivities, and binary diffusion coefficients of the systems (CO2 + C2H6) and (H2S + C2H6) were determined with high accuracy at temperatures from (150 to 1200) K by means of statistical thermodynamics and the kinetic theory of polyatomic gases. The required intermolecular potential energy surfaces (PESs) for the CO2–C2H6 and H2S–C2H6 interactions are presented here, while the like-species interactions were modeled employing PESs developed previously as part of our studies on the pure gases. All PESs are based on high-level quantum-chemical ab initio computations and are represented analytically by site–site potential functions. The agreement between the calculated values for the investigated mixture properties and the few reliable experimental data is very satisfactory.

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Section: Resultsmentioning

confidence: 80%

Section: Resultsmentioning

confidence: 91%

Section: Calculation Of Thermophysical Propertiesmentioning

confidence: 99%

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Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces

Hellmann

2019

J. Chem. Eng. Data

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“…Multifluid Mixture Models with a Theoretically Based Departure Function. The multifluid mixture model with a theoretically based departure function reads 9,10 23 (symbols) are compared with calculated values. (a) Results for B 12 calculated with the multifluid mixture model using the reference equations for ethane 27 and carbon dioxide 29 and a theoretically based departure function (see eq 10) using UNIFAC with PSRK parameters 14,36 as the g E -model.…”

Section: 1mentioning

confidence: 99%

“…However, the composition dependence can be seen more clearly for methane + propane in Figure S1d and for argon + carbon dioxide in Figure S2c of the Supporting Information. 23 on different isotherms. The solid lines are results for B 12 calculated with the SRK, 11,12 the dashed lines are results of the PSRK, 13,14 and the dashed-dotted lines are results of PCP-SAFT.…”

Section: Other Equations Of Statementioning

confidence: 99%

The Representation of Cross Second Virial Coefficients by Multifluid Mixture Models and Other Equations of State

Jäger

Breitkopf

Richter

2021

Ind. Eng. Chem. Res.

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Cross second virial coefficients B 12 are only a function of temperature and do, therefore, not depend on the composition of the mixture. However, many commonly used mixture models do not fulfill this condition. In this work, we compare the results of multifluid mixture models for B 12 with accurate experimental data for mixtures of methane + propane, argon + carbon dioxide, hydrogen + carbon dioxide, and ethane + carbon dioxide. It was found that neither multifluid mixture models with adjusted parameters nor multifluid mixture models employing a theoretically based departure function using either UNIFAC or COSMO-SAC as the g E-model are capable of describing B 12 correctly. Furthermore, the ability of other commonly used equations of state (SRK, PSRK, and PCP-SAFT) to correctly represent cross second virial coefficients is evaluated and the results of these equations of state are used for comparison. A possible modification of the multifluid mixture model in the limit of zero density for achieving the correct behavior of the cross second virial coefficient is discussed.

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The Magnetic Suspension Balance: 40 Years of Advancing Densimetry and Sorption Science

Yang,

Kleinrahm,

McLinden

et al. 2023

Int J Thermophys

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This paper reviews the 40-year evolution and application of the magnetic suspension balance (MSB) and discusses some challenging issues of the technique. An MSB, as defined herein, is a magnetic suspension coupling (MSC) connected to an analytical balance. With an MSC, an object can be weighed in a different environment than the balance itself, making it possible for contactless weighing. Over the past 40 years, the MSB has been commonly used in research areas requiring accurate object weighings, notably gas density measurements by MSB-based densimeters and gas adsorption measurements by MSB-based sorption analyzers. More than 15 MSB-based densimeters have been built to date; these are generally called two-sinker densimeter and single-sinker densimeter. They have produced highly accurate density data of many pure fluids and fluid mixtures. These data serve as the basis for the development of reference equations of state, which play an essential role in various industrial and scientific areas. Moreover, such systems are central to the metrology program of many countries. The MSB technique is also very successful in adsorption science: more than 85 MSB-based sorption analyzers have been set up in over 20 countries. The number of new MSB-based sorption analyzers, and peer-reviewed publications resulting from them, are both increasing exponentially since 2004. They have produced highly reliable gas adsorption data at high pressures for many applications, mainly in the energy and environmental sectors. Although further development of innovative instruments based on the MSB is threatened by the proprietary nature of MSB technology, the development will continue, e.g., toward cryogenic measurements and a more compact design.

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Vapour-phase (p, ρ, T, x) behaviour and virial coefficients for the (ethane + carbon dioxide) system

Cited by 6 publications

References 49 publications

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces

The Representation of Cross Second Virial Coefficients by Multifluid Mixture Models and Other Equations of State

The Magnetic Suspension Balance: 40 Years of Advancing Densimetry and Sorption Science

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Vapour-phase (p, ρ, T, x) behaviour and virial coefficients for the (ethane + carbon dioxide) system

Cited by 6 publications

References 49 publications

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO2+ C2H6) and (H2S + C2H6) from Accurate Intermolecular Potential Energy Surfaces

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO2+ C2H6) and (H2S + C2H6) from Accurate Intermolecular Potential Energy Surfaces

The Representation of Cross Second Virial Coefficients by Multifluid Mixture Models and Other Equations of State

The Magnetic Suspension Balance: 40 Years of Advancing Densimetry and Sorption Science

Contact Info

Product

Resources

About

Vapour-phase (p, ρ, T, x) behaviour and virial coefficients for the (ethane + carbon dioxide) system

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO₂+ C₂H₆) and (H₂S + C₂H₆) from Accurate Intermolecular Potential Energy Surfaces