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 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
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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. / Zhao, Haining; Lvov, Serguei N.
In: Fluid Phase Equilibria, Vol. 417, 15.06.2016, p. 96-108.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.
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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 -