Properties of carbon dioxide mixtures

Properties of carbon dioxide and carbon dioxide/cossolvent mixtures calculated using the PC-SAFT equation of state.

Molar density

mol m^-3

Mass density

kg m^-3

Residual enthalpy

J mol^-1

Residual entropy

J mol^-1 K^-1

Residual Gibbs energy

J mol^-1

Fugacity coefficient CO₂

Compressibility factor

Residual Helmholtz energy

J mol^-1

Notes

This calculator implements the PC-SAFT equation of state.

PC-SAFT (Perturbed Chain - Statistical Associating Fluid Theory) is an equation of state developed by J. Gross and G. Sadowski [1,2]. It is based on statistical associating fluid theory (SAFT) and makes use of statistical mechanical methods. Unlike other SAFT equations of state that used unbonded spherical particles as a reference fluid, PC-SAFT uses spherical particles in the context of hard chains as reference fluid.

PC-SAFT has been tested by our group against experimental data from several sources at different temperature, pressures, and cossolvent fractions, providing very good results:
- For CO₂/ethanol mixtures, an average error of 1.67 % was obtained for experimental data from [3-6] (254 data points).
- For CO₂/methanol mixtures, an average error of 0.79 % was obtained for experimental data from [5,7,8] (274 data points).
- For pure CO₂, an average error of 0.49 % was obtained for experimental data from [3,9] (108 data points).

References

[1] J. Gross, G. Sadowski. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules, Ind. Eng. Chem. Res., 2001, 40(4) 1244–1260.

[2] J. Gross, G. Sadowski. Application of the Perturbed-Chain SAFT Equation of State to Associating Systems, Ind. Eng. Chem. Res., 2002, 41(22) 5510–5515.

[3] T. Zhu, H. Gong, and M. Dong. Density and Viscosity of CO₂ + Ethanol Binary Systems Measured by a Capillary Viscometer from 308.15 to 338.15 K and 15 to 45 MPa, J. Chem. Eng. Data, 2020, 65(8) 3820-3833.

[4] A. Zúñiga-Moreno and L.A. Galicia-Luna. Compressed Liquid Densities of Carbon Dioxide + Ethanol Mixtures at Four Compositions via a Vibrating Tube Densimeter up to 363 K and 25 MPa, J. Chem. Eng. Data, 2002, 47(2) 149-154.

[5] K.D. Tilly, N.R. Foster, S.J. Macnaughton, and D.L. Tomasko. Viscosity correlations for binary supercritical fluids, Ind. Eng. Chem. Res., 1994, 33(3) 681-688.

[6] H. Pöhler and E. Kiran. Volumetric Properties of Carbon Dioxide + Ethanol at High Pressures, J. Chem. Eng. Data, 1997, 42(2) 384-388.

[7] R.L. Smith, S.B. Lee, S. Suzuki, C. Saito, H. Inomata, and K. Arai. Densities of Carbon Dioxide + Methanol Mixtures at Temperatures from 313.2 to 323.2 K and at Pressures from 10 to 20 MPa, J. Chem. Eng. Data, 2002, 47(3) 608-612.

[8] L.A. Galicia-Luna, D. Richon, H. Renon. New Loading Technique for a Vibrating Tube Densimeter and Measurements of Liquid Densities up to 39.5 MPa for Binary and Ternary Mixtures of the Carbon Dioxide-Methanol-Propane System, J. Chem. Eng. Data, 1994, 39 424-431.

[9] National Institute of Standards and Technology (NIST), 2020.