PVTxy properties of CO2 mixtures relevant for CO2 capture, transport and storage: Review of available experimental data and theoretical models

Li, Hailong; Jakobsen, Jana P.; Wilhelmsen, Øivind; Yan, Jinyue

doi:10.1016/j.apenergy.2011.03.052

Cited by 233 publications

(159 citation statements)

References 82 publications

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“…To date, no EOS is specifically recommended for CO 2 mixtures, but the ability to accurately predict the Vapour Liquid Equilibrium (VLE), density and speed of sound is considered the best way to gauge any weaknesses or strengths of EOS [2,8,38,39]. Li et al [2,8] has not been implemented in CFD models of decompression or outflow models to date , though it is currently the reference EOS for natural gas [50].…”

Section: Computational Fluid Dynamics (Cfd) Technique Have Been Develmentioning

confidence: 99%

Decompression wave speed in CO2 mixtures: CFD modelling with the GERG-2008 equation of state

et al. 2015

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The development of CO2 pipelines for Carbon Capture and Storage (CCS) raises new questions regarding the control of ductile fracture propagation and fracture arrest toughness criteria. The decompression behaviour in the fluid must be determined accurately in order to estimate the proper pipe toughness. However, anthropogenic CO2 may contain impurities that can modify the fluid decompression characteristics quite significantly. To determine the decompression wave speed in CO2 mixtures, the thermodynamic properties of these mixtures must be determined by using an accurate equation of state. In this paper we present a new decompression model developed using the Computational Fluid Dynamics (CFD) package ANSYS Fluent. The GERG-2008 Equation of State (EOS) was implemented into this model through User Defined Functions (UDF) to predict the thermodynamic properties of CO2 mixtures. The model predictions were in good agreement with the experimental data of two 'shock tube' tests. A range of representative CO2 mixtures was examined in terms of the changes in fluid properties from the initial conditions, with time and distance, immediately after a sudden pipeline opening at one end. Phase changes that may occur within the fluid due to condensation of 'impurities' in the fluid were also investigated. Simulations were also conducted to examine how the initial temperature and impurities would affect the decompression wave speed.

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Section: Computational Fluid Dynamics (Cfd) Technique Have Been Develmentioning

confidence: 99%

Decompression wave speed in CO2 mixtures: CFD modelling with the GERG-2008 equation of state

et al. 2015

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“…In this work, we use the Peng-Robinson cubic equation of state, which has proven to give accurate predictions of the density and vapor-liquid equilibrium properties in both gas and liquid regions for non-polar mixtures. [39][40][41] Cubic equations of state can be represented as…”

Section: Theorymentioning

confidence: 99%

“…24,[39][40][41] We discuss the behavior of single-component systems and mixtures. The results are compared to a similar analysis with the capillary model.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Wilhelmsen

Bedeaux

Kjelstrup

et al. 2014

The Journal of Chemical Physics

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Formation of nanosized droplets/bubbles from a metastable bulk phase is connected to many unresolved scientific questions. We analyze the properties and stability of multicomponent droplets and bubbles in the canonical ensemble, and compare with single-component systems. The bubbles/droplets are described on the mesoscopic level by square gradient theory. Furthermore, we compare the results to a capillary model which gives a macroscopic description. Remarkably, the solutions of the square gradient model, representing bubbles and droplets, are accurately reproduced by the capillary model except in the vicinity of the spinodals. The solutions of the square gradient model form closed loops, which shows the inherent symmetry and connected nature of bubbles and droplets. A thermodynamic stability analysis is carried out, where the second variation of the square gradient description is compared to the eigenvalues of the Hessian matrix in the capillary description. The analysis shows that it is impossible to stabilize arbitrarily small bubbles or droplets in closed systems and gives insight into metastable regions close to the minimum bubble/droplet radii. Despite the large difference in complexity, the square gradient and the capillary model predict the same finite threshold sizes and very similar stability limits for bubbles and droplets, both for single-component and two-component systems. © 2014 AIP Publishing LLC. [http://dx

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“…There exists a wealth of experience in CO2-EOR using high purity CO2 from natural sources; however, the impact of the higher levels of impurities expected with industrially-captured CO2 streams requires further investigation in relation to both EOR and long-term storage. Potential impurities include N2, H2, O2, Ar, H2S, SO2, NOx, CO and CH4 [2]. The composition the CO2 stream for storage will depend upon the various CO2 sources feeding the storage site, the capture methods used, the safety and corrosion constraints associated with pipeline transport, and any identified storage constraints.…”

Section: Introductionmentioning

confidence: 99%

“…To ensure an adequate flow, the CO2 must be injected at a pressure higher than that of the existing reservoir fluids [4]. Envisioned CO2 storage conditions involve temperatures up to 423 K with pressures up to 50 MPa [2]. The principal storage mechanisms in order of increasing time scale are: (a) structural trapping, where buoyant CO2 is retained below impermeable caprocks; (b) capillary trapping, whereby CO2 is immobilised in the pore space by means of interfacial forces; (c) solubility trapping, whereby the CO2 dissolves in the reservoir fluids; and (d) mineralization, in which the CO2 reacts to form carbonate minerals [5].…”

Section: Introductionmentioning

confidence: 99%

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

Chow

Maitland

Trusler

2016

The Journal of Chemical Thermodynamics

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Interfacial tension measurements of the (CO2 + N2 + H2O) and (N2 + H2O) systems are reported at pressures of (2 to 40) MPa, and temperatures of (298.15 to 448.15) K. The pendant drop method was used in which it is necessary to know the density difference between the two phases. To permit calculation of this difference, the compositions of the coexisiting phases were first computed from a combination of the Peng-Robinson equation of state (applied to the non-aqueous phase) and the NRTL model (applied to the aqueous phase). Densities of the non-aqueous phase were computed from the GERG-2008 equation of state, while those of the aqueous phase were calculated knowing the partial molar volumes of the solutes. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 0.07 MPa for pressure, 0.019·γ for interfacial tension in the binary (N2 + H2O) system; and 0.032γ for interfacial tension in the ternary (CO2 + N2 + H2O) system. The interfacial tensions in both systems were found to decrease with both increasing pressure and increasing temperature. An empirical correlation has been developed for the interfacial tension of the (N2 + H2O) system in the full range of conditions investigated, with an average absolute deviation of 0.20 mN·m -1 , and this is used to facilitate a comparison with literature values. Estimates of the interfacial tension for the (CO2 + N2 + H2O) ternary system, by means of empirical combining rules based on the coexisting phase compositions and the interfacial tensions of the binary sub-systems, (N2 + H2O) and (CO2 + H2O), were found to be somewhat inadequate at low temperatures, with an average absolute deviation of 1.9 mN·m -1 for all the conditions investigated. To enable this analysis, selected literature data for the interfacial tensions of the (CO2 + H2O) binary system have been re-analysed, allowing for improved estimates of the density difference between the two phases. The revised result on eleven isotherms were fitted with empirical models that generally represent the data to within 1 mN·m -1 .

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PVTxy properties of CO2 mixtures relevant for CO2 capture, transport and storage: Review of available experimental data and theoretical models

Cited by 233 publications

References 82 publications

Decompression wave speed in CO2 mixtures: CFD modelling with the GERG-2008 equation of state

Decompression wave speed in CO2 mixtures: CFD modelling with the GERG-2008 equation of state

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

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