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: An extension to the CO2-CH4-H2O system

Haining Zhao, Serguei N. Lvov

Research output: Contribution to journalArticle

16 Citations (Scopus)

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 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.

Original languageEnglish (US)
Pages (from-to)96-108
Number of pages13
JournalFluid Phase Equilibria
Volume417
DOIs
StatePublished - Jun 15 2016

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Phase behavior
Equations of state
equations of state
Phase boundaries
Gibbs free energy
Ternary systems
Hydrocarbons
Phase equilibria
Temperature
temperature
Solubility
liquid-vapor equilibrium
interactions
ternary systems
Molecules
Fluids
Liquids
Chemical analysis
solubility
hydrocarbons

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "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: An extension to the CO2-CH4-H2O system",
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 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.",
author = "Haining Zhao and Lvov, {Serguei N.}",
year = "2016",
month = "6",
day = "15",
doi = "10.1016/j.fluid.2016.02.027",
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volume = "417",
pages = "96--108",
journal = "Fluid Phase Equilibria",
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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.

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