Second and third virial coefficients for (methane + nitrogen)

Ababio, B.D.; McElroy, P.J.; Williamson, Chris

doi:10.1006/jcht.2000.0727

Cited by 14 publications

(5 citation statements)

References 6 publications

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“…As illustrated in Fig. 3, all the data, with the exception of four datum points of Ababio et al, 48 fall within the estimated uncertainty bounds of the calculated values.…”

Section: Cross Second Virial Coefficientsupporting

confidence: 72%

“…Most of the data of the other workers were replicated within their claimed uncertainty. The data of Ababio et al, 48 for which no uncertainties are given, exhibit a large scatter compared to the other illustrated data and are not compatible with the data of Jaeschke and Hinze. 47 We note that we have reanalyzed the measurements of Martin et al 46 and Ababio et al 48 using more accurate values 2,6 for the pure-component virial coefficients.…”

Section: Cross Second Virial Coefficientmentioning

confidence: 69%

“…3, the present results for the cross second virial coefficient are compared with selected experimental data. [45][46][47][48] The data of Jaeschke and Hinze, 47 derived from isothermal pV T measurements with both a Burnett and an optical apparatus, are the most accurate ones with expanded uncertainties (k = 2) of 0.5 cm 3 mol −1 . We used these data as reference for the adjustment of the ab initio potential function (see Sec.…”

Section: Cross Second Virial Coefficientmentioning

confidence: 99%

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Intermolecular potential energy surface and thermophysical properties of the CH4–N2 system

Hellmann

Bich

Vogel

et al. 2014

The Journal of Chemical Physics

133

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Articles you may be interested in Ab initio potential energy surface for methane and carbon dioxide and application to vapor-liquid coexistence J. Chem. Phys. 141, 064303 (2014) A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to quadruple-zeta quality with bond functions and were extrapolated to the complete basis set limit. An analytical site-site potential function with nine sites for methane and five sites for nitrogen was fitted to the interaction energies. The PES was validated by calculating the cross second virial coefficient as well as the shear viscosity and binary diffusion coefficient in the dilute-gas limit for CH 4 -N 2 mixtures. An improved PES was obtained by adjusting a single parameter of the analytical potential function in such a way that quantitative agreement with the most accurate experimental values of the cross second virial coefficient was achieved. The transport property values obtained with the adjusted PES are in good agreement with the best experimental data. © 2014 AIP Publishing LLC.

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“…As illustrated in Fig. 3, all the data, with the exception of four datum points of Ababio et al, 48 fall within the estimated uncertainty bounds of the calculated values.…”

Section: Cross Second Virial Coefficientsupporting

confidence: 72%

Section: Cross Second Virial Coefficientmentioning

confidence: 69%

Section: Cross Second Virial Coefficientmentioning

confidence: 99%

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Intermolecular potential energy surface and thermophysical properties of the CH4–N2 system

Hellmann

Bich

Vogel

et al. 2014

The Journal of Chemical Physics

133

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“…( 4) was used for the binary systems in various studies. [48][49] We used the same equation to describe experimental values of the azeotropic systems. The mole fraction dependence of the second and the third virial coefficients are shown in Figs.…”

Section: Correlationmentioning

confidence: 99%

P–ρ–T and Ps–ρs–Ts properties of methanol + water and n-propanol + water solutions in wide range of state parametersElectronic supplementary information (ESI) available: Tables of values of the coefficients in eqn. (1), eqn. (7), eqn. (8) and eqn. (9). See http://www.rsc.org/suppdata/cp/b1/b109077c/

Shahverdiyev

Safarov

2002

Phys. Chem. Chem. Phys.

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The P-r-T and P s -r s -T s properties of methanol + water and n-propanol + water solutions in a wide range of state parameters have been investigated in a constant volume piezometer installation. The experiments were carried out for the methanol + water solutions in the temperature range 298.15 to 523.15 K, at mole fractions of methanol of x ¼ 0.25, x ¼ 0.50, x ¼ 0.75, from the bubble point pressure up to 60 MPa and also for npropanol + water solutions in the temperature range 373.15 to 573.15 K, at the x ¼ 0.25, x ¼ 0.50, x ¼ 0.75 mole fractions of n-propanol, in the pressures range 0.1 to 5.25 MPa, in the 0.6628-118.6103 kg m À3 density interval. The experimental uncertainties are DT ¼ AE 3 mK for temperature, DP ¼ AE 5Â10 À2 ÂP for pressure, Dr ¼ AE 3Â10 À2 Âr for density in liquid phases, and Dr ¼ AE 9Â10 À2 Âr in the vapor phase. A new equation of state was derived for correlation of the experimental data of methanol + water solutions. The experiments could be reproduced with deviations not exceeding experimental uncertainty. The data obtained for the npropanol + water solution allowed us to establish the equation of state in virial form and thus the second and the third virial coefficients are calculated. The virial coefficients were obtained by two independent methods, namely, graphical and analytical. The temperature and mole fraction dependence of the coefficients of the equations of state are described.

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“…The authors determined the compressibility factors for five mixtures of methane, carbon dioxide and ethane of propane at different temperatures and mixtures. In (Ababio, McElroy, Williamson, 2001) authors published the experimental results on methane-nitrogen mixtures of various compositions, in (McElroy, Fang, Williamson, 2001) one can find data for methane+ethane+carbon dioxide mixtures. More experimental values of the compressibility factor for different mixtures can be found in (Hall, 1973;Roe, 1972;Lapshin, Volkov, Shafiev, 2011; Obuba, Ikiesnkimama, Ubani, Ekeke, 2013; Fayazi, Arabloo, Mohammadi, 2014; Bian, Du, Tang, and Du, 2012).…”

Section: Introductionmentioning

confidence: 99%

Comparative Study of Empirical Correlations and Equations of State Effectiveness for Compressibility Factor of Natural Gas Determination

Malyshev¹,

Nurgalieva²,

Moiseeva³

2021

PTQ

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Introduction: Today, there are four main groups of methods for calculating the compressibility factor of natural gas: experimental measurements, equations of state, empirical correlations, modern methods based on genetic algorithms, neural networks, atomistic modeling (Monte Carlo method and molecular dynamics). A correctly chosen method can improve the accuracy of calculating gas reserves and predicting its production and processing. Aim: To find the optimal methods for calculating the z-factor following the characteristic thermobaric conditions. Methods: To determine the best method for calculating the compressibility factor, the effectiveness of using various empirical correlations and equations of state to predict the compressibility factor of hydrocarbon systems (reservoir gases and separation gases) of various compositions were evaluated by comparing numerical results with experimental data. Results and Discussion: Based on 824 experimental values of the compressibility factor for 235 various gas mixtures in the pressure range from 0.1 to 94 MPa and temperatures from 273 to 437 K, the optimal equation of state and empirical correlation dependence for accurate z-factor prediction was found. It is shown that for all gas mixtures the Peng-Robinson equation of state with the shift parameter and Brusilovsky equation of state allow achieving best results. For these methods, the average absolute relative error does not exceed 2%. Among the correlation dependences, the best results are shown by the Sanjari and Nemati Lay; Heidaryan, Moghadasi and Rahimi correlations with an error not exceeding 3%. Conclusions: It was found that for the proposed methods, the reduced pressure has a more significant effect on the accuracy of the calculated values than the reduced temperature. It is shown that when studying acid gas mixtures with a carbon dioxide content of more than 10%, the equations of state better describe the phase behavior of the system in comparison with empirical correlations.

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Second and third virial coefficients for (methane + nitrogen)

Cited by 14 publications

References 6 publications

Intermolecular potential energy surface and thermophysical properties of the CH4–N2 system

Intermolecular potential energy surface and thermophysical properties of the CH4–N2 system

Comparative Study of Empirical Correlations and Equations of State Effectiveness for Compressibility Factor of Natural Gas Determination

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