An improved equation of state of binary CO2–N2 fluid mixture and its application in the studies of fluid inclusions

Zhang, Jia; Mao, Shide; Peng, Qiongbin

doi:10.1016/j.fluid.2020.112554

Cited by 3 publications

(1 citation statement)

References 48 publications

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“…Two EoSs were selected for the modelling part of this study -one cubic EoS (PR-EoS with classical mixing rules 84 and binary interaction parameters [BIPs] by the Jaubert and Mutelet's group contribution method 85 ) was chosen due to its common usage in the industry and the fact that it is among the simplest EoSs 86,87 and one multi-parameter EoS (MFHEA-EoS with default and adjusted binary-specific reducing parameters (k ij )) 88,89 was chosen due to its suitability for the prediction of several thermodynamic properties of gas mixtures and accurate prediction of multi-component systems over a wide range of compositions and conditions. 88 The reference EoSs adopted for the pure components in the MFHEA EoS are presented in Table 7.…”

Section: Thermodynamic Modellingmentioning

confidence: 99%

Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Okoro,

Chapoy,

Ahmadi

et al. 2023

Greenhouse Gases

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The present work investigated the effects of some non‐condensable impurities (i.e., N2, O2, CH4, and Ar) on the phase behaviour of CO2‐rich systems at low temperature conditions (228.15–273.15 K). The study focused on bubble point measurements of CO2‐rich systems using the isothermal (pressure–volume) method at different mole fractions of CO2 (99.5%–95%). The obtained experimental data were used to validate multi‐fluid Helmholtz energy approximation (MFHEA) and Peng–Robinson (PR) equations of state (EoSs). For all data points, the measurements’ uncertainties for temperature and pressure were 0.14 K and 0.03 MPa, respectively. While the composition uncertainty of the CO2 systems was a maximum of 0.024%. The findings reveal that as the mole fractions of the impurities increased, the bubble point pressures of the binary mixtures were elevated. Among all the investigated impurities, N2 has the most significant effect on the bubble point pressures of CO2 binary mixture at all the isotherms and compositions. Both MFHEA and PR models agreed well with the measured equilibrium points. For all systems, the average absolute deviations of the measured experimental data against the MFHEA and PR EoSs, were found to be less than 3.4% and 2.2%, respectively. Although the MFHEA EoS overpredicted most of the data points, the overall trend agreed with the experimental data and was consistent with the data available in the literature. The findings imply that the presence of these non‐condensable impurities (even as low as 0.5% mole fraction) increases the risk of two‐phase flow at higher pressures in a CO2‐rich system. © 2023 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.

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Section: Thermodynamic Modellingmentioning

confidence: 99%

Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Okoro,

Chapoy,

Ahmadi

et al. 2023

Greenhouse Gases

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Validation of cubic EoS mixing rules and multi‐fluid helmholtz energy approximation EoS for the phase behaviour modelling of CO₂‐rich binary mixtures at low temperatures

Okoro,

Chapoy,

Ahmadi

et al. 2024

Greenhouse Gases

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The transportation of CO2 from the capture site to the storage location is a crucial phase in carbon capture, utilisation and storage (CCUS) process. For offshore operations, ship transportation is considered a viable alternative, and this would entail operations at low temperatures (down to 223.15 K). A review of the literature revealed that there is limited experimental data on CO2‐rich systems at low temperatures, thus, the need to investigate the phase behaviour of CO2‐rich systems at these conditions. This study validated and compared the accuracies of Peng–Robinson (PR) equation of state (EoS) with three different mixing rules (the classical with original and adjusted binary interaction parameters, the Wong–Sandler, and the Orbey–Wong–Sandler mixing rules) against the multi‐fluid helmholtz energy approximation (MFHEA ‐ with original and adjusted binary‐specific reducing parameters) EoS in the prediction of bubble points of CO2‐rich binary systems (CO2‐CH4, CO2–O2, CO2–Ar, and CO2–N2) for CCUS applications. The experimental studies used for the validation of the models were conducted at low temperatures (228.15–273.15 K with overall uncertainties of 0.14 K) and for five different CO2 mole ratios (99.5, 99, 98.5, 98 and 95% with overall uncertainties of 0.032%) using the constant composition expansion method. The overall uncertainty of the pressure measurements was 0.03 MPa. From the study, it was observed that there was a significant effect of binary interaction parameters (BIP) adjustment on the performance of PR‐EoS with classical mixing rule, especially for the CO2–N2 system. For all the systems, the predictions of PR‐EoS with the classical mixing rules and the adjusted BIPs were the most accurate in terms of the average absolute deviations from the experimental data. The model also predicted the literature data well in comparison with the other models (with less than 5% deviations for all the data points). Further analysis also proved that the model dew point predictions were in reasonable agreement with the available literature data at the considered conditions. As a result, the model could be adopted to fill the existing knowledge gaps of the studied systems at conditions (143.15–223.15 K) where experimental studies were not feasible. © 2024 The Author(s). Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.

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A Helmholtz Free Energy Equation of State of CO2-CH4-N2 Fluid Mixtures (ZMS EOS) and Its Applications

2023

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An equation of state (EOS) of CH4-N2 fluid mixtures in terms of Helmholtz free energy has been developed by using four mixing parameters, which can reproduce the pressure-volume-temperature-composition (PVTx) and vapor-liquid equilibrium (VLE) properties of CH4-N2 fluid mixtures. The average absolute deviation of all the PVTx data available up to 673.15 K and 1380 bar from this EOS is 0.38%. Combining this EOS of CH4-N2 fluid mixtures and the EOS of CH4-CO2 and CO2-N2 fluid mixtures in our previous work, an EOS of CO2-CH4-N2 fluid mixtures has been developed, which is named ZMS EOS. The ZMS EOS can calculate all thermodynamic properties of ternary CO2-CH4-N2 fluid mixtures and the average absolute deviation of the PVTx data from the ZMS EOS is 0.40% for the CO2-CH4-N2 system. The ZMS EOS can be applied to calculate excess enthalpies of CO2-CH4-N2 fluid mixtures, predict the solubility of CO2-CH4-N2 fluid mixtures in brine and water, and quantitatively estimate the impact of the impurities (CH4 and N2) on the CO2 storage capacity in the CO2 capture and storage (CCS) processes. The ZMS EOS can also be applied to calculate the isochores of CO2-CH4-N2 system in the studies of fluid inclusions. All Fortran computer codes and Origin drawing projects in this paper can be obtained freely from the corresponding author.

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An improved equation of state of binary CO2–N2 fluid mixture and its application in the studies of fluid inclusions

Cited by 3 publications

References 48 publications

Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Validation of cubic EoS mixing rules and multi‐fluid helmholtz energy approximation EoS for the phase behaviour modelling of CO₂‐rich binary mixtures at low temperatures

A Helmholtz Free Energy Equation of State of CO2-CH4-N2 Fluid Mixtures (ZMS EOS) and Its Applications

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An improved equation of state of binary CO2–N2 fluid mixture and its application in the studies of fluid inclusions

Cited by 3 publications

References 48 publications

Effects of non‐condensable CCUS impurities (CH4, O2, Ar and N2) on the saturation properties (bubble points) of CO2‐rich binary systems at low temperatures (228.15–273.15 K)

Effects of non‐condensable CCUS impurities (CH4, O2, Ar and N2) on the saturation properties (bubble points) of CO2‐rich binary systems at low temperatures (228.15–273.15 K)

Validation of cubic EoS mixing rules and multi‐fluid helmholtz energy approximation EoS for the phase behaviour modelling of CO2‐rich binary mixtures at low temperatures

A Helmholtz Free Energy Equation of State of CO2-CH4-N2 Fluid Mixtures (ZMS EOS) and Its Applications

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Product

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Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Effects of non‐condensable CCUS impurities (CH₄, O₂, Ar and N₂) on the saturation properties (bubble points) of CO₂‐rich binary systems at low temperatures (228.15–273.15 K)

Validation of cubic EoS mixing rules and multi‐fluid helmholtz energy approximation EoS for the phase behaviour modelling of CO₂‐rich binary mixtures at low temperatures