### Abstract

We modified the binary interaction parameter in Wong-Sandler mixing rule for cubic EOS as a two-parameter linear function of composition. We then incorporated the Non-Random-Two-Liquid excess Gibbs energy model into the modified Wong-Sandler mixing rule to correlate the phase boundaries of the CO_{2}-H_{2}O system through the φ-φ approach by using Peng-Robinson-Stryjek-Vera equation of state. The proposed EOS/G^{ex} model has four adjustable temperature-dependent parameters for polar molecules; and it can be reduced smoothly to the van der Waal one-fluid mixing rule with only one binary interaction parameter for hydrocarbon systems. An excellent result was obtained when compared the modeling results with a large amount of the vapor-liquid equilibria experimental data (more than 1300 experimental data points located in a P-T region of 273-623 K and 0.1-200 MPa) for the CO_{2}-H_{2}O system. The average absolute deviations (AAD%) of modeling results from experimental data (mutual solubilities of CO_{2} and H_{2}O) are less than 7.5% for both phases. In addition, the proposed model can be easily extended to a multi-component system on condition that the binary interaction parameters of each binary pair in the multi-component system are known. We provided a calculation example for the ternary CO_{2}-CH_{4}-H_{2}O system and found that the modeling result agrees very well with experimental data for this ternary system.

Original language | English (US) |
---|---|

Pages (from-to) | 96-108 |

Number of pages | 13 |

Journal | Fluid Phase Equilibria |

Volume | 417 |

DOIs | |

State | Published - Jun 15 2016 |

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### All Science Journal Classification (ASJC) codes

- Chemical Engineering(all)
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

### Cite this

_{2}-H

_{2}O system at temperatures of 273-623 K and pressures of 0.1-200 MPa using Peng-Robinson-Stryjek-Vera equation of state with a modified Wong-Sandler mixing rule: An extension to the CO

_{2}-CH

_{4}-H

_{2}O system.

*Fluid Phase Equilibria*,

*417*, 96-108. https://doi.org/10.1016/j.fluid.2016.02.027

}

_{2}-H

_{2}O system at temperatures of 273-623 K and pressures of 0.1-200 MPa using Peng-Robinson-Stryjek-Vera equation of state with a modified Wong-Sandler mixing rule: An extension to the CO

_{2}-CH

_{4}-H

_{2}O system',

*Fluid Phase Equilibria*, vol. 417, pp. 96-108. https://doi.org/10.1016/j.fluid.2016.02.027

**Phase behavior of the CO _{2}-H_{2}O system at temperatures of 273-623 K and pressures of 0.1-200 MPa using Peng-Robinson-Stryjek-Vera equation of state with a modified Wong-Sandler mixing rule : An extension to the CO_{2}-CH_{4}-H_{2}O system.** / Zhao, Haining; Lvov, Serguei N.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Phase behavior of the CO2-H2O system at temperatures of 273-623 K and pressures of 0.1-200 MPa using Peng-Robinson-Stryjek-Vera equation of state with a modified Wong-Sandler mixing rule

T2 - An extension to the CO2-CH4-H2O system

AU - Zhao, Haining

AU - Lvov, Serguei N.

PY - 2016/6/15

Y1 - 2016/6/15

N2 - We modified the binary interaction parameter in Wong-Sandler mixing rule for cubic EOS as a two-parameter linear function of composition. We then incorporated the Non-Random-Two-Liquid excess Gibbs energy model into the modified Wong-Sandler mixing rule to correlate the phase boundaries of the CO2-H2O system through the φ-φ approach by using Peng-Robinson-Stryjek-Vera equation of state. The proposed EOS/Gex model has four adjustable temperature-dependent parameters for polar molecules; and it can be reduced smoothly to the van der Waal one-fluid mixing rule with only one binary interaction parameter for hydrocarbon systems. An excellent result was obtained when compared the modeling results with a large amount of the vapor-liquid equilibria experimental data (more than 1300 experimental data points located in a P-T region of 273-623 K and 0.1-200 MPa) for the CO2-H2O system. The average absolute deviations (AAD%) of modeling results from experimental data (mutual solubilities of CO2 and H2O) are less than 7.5% for both phases. In addition, the proposed model can be easily extended to a multi-component system on condition that the binary interaction parameters of each binary pair in the multi-component system are known. We provided a calculation example for the ternary CO2-CH4-H2O system and found that the modeling result agrees very well with experimental data for this ternary system.

AB - We modified the binary interaction parameter in Wong-Sandler mixing rule for cubic EOS as a two-parameter linear function of composition. We then incorporated the Non-Random-Two-Liquid excess Gibbs energy model into the modified Wong-Sandler mixing rule to correlate the phase boundaries of the CO2-H2O system through the φ-φ approach by using Peng-Robinson-Stryjek-Vera equation of state. The proposed EOS/Gex model has four adjustable temperature-dependent parameters for polar molecules; and it can be reduced smoothly to the van der Waal one-fluid mixing rule with only one binary interaction parameter for hydrocarbon systems. An excellent result was obtained when compared the modeling results with a large amount of the vapor-liquid equilibria experimental data (more than 1300 experimental data points located in a P-T region of 273-623 K and 0.1-200 MPa) for the CO2-H2O system. The average absolute deviations (AAD%) of modeling results from experimental data (mutual solubilities of CO2 and H2O) are less than 7.5% for both phases. In addition, the proposed model can be easily extended to a multi-component system on condition that the binary interaction parameters of each binary pair in the multi-component system are known. We provided a calculation example for the ternary CO2-CH4-H2O system and found that the modeling result agrees very well with experimental data for this ternary system.

UR - http://www.scopus.com/inward/record.url?scp=84959120045&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84959120045&partnerID=8YFLogxK

U2 - 10.1016/j.fluid.2016.02.027

DO - 10.1016/j.fluid.2016.02.027

M3 - Article

AN - SCOPUS:84959120045

VL - 417

SP - 96

EP - 108

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -

_{2}-H

_{2}O system at temperatures of 273-623 K and pressures of 0.1-200 MPa using Peng-Robinson-Stryjek-Vera equation of state with a modified Wong-Sandler mixing rule: An extension to the CO

_{2}-CH

_{4}-H

_{2}O system. Fluid Phase Equilibria. 2016 Jun 15;417:96-108. https://doi.org/10.1016/j.fluid.2016.02.027