Calculation of vapor–liquid equilibrium and PVTx properties of geological fluid system with SAFT-LJ EOS including multi-polar contribution. Part III. Extension to water–light hydrocarbons systems

Sun, Rui; Lai, Shaocong; Dubessy, Jean

doi:10.1016/j.gca.2013.10.027

Cited by 18 publications

(12 citation statements)

References 125 publications

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“…• the H 2 O mole fraction in the hydrocarbon-rich phase can be accurately reproduced by this model for all references; • in hydrocarbon mixtures, CH 4 solubility in water can be well reproduced (generally with AAD% less than 10%), and nC 4 H 10 solubility in water has the worst behaviour (usually with AAD% greater than 20%); and • the model shows the worst predictions compared with the hydrocarbon solubility data from McKetta and Katz (1948) and Wang et al (2003); a similar phenomenon was found by the SAFT-LJ model (Sun et al, 2014). From the above analysis, to improve the model behaviour, we may need more systematic experimental studies on C 2 H 6 , C 3 H 8 and nC 4 H 10 in wider temperature and pressure ranges to achieve more accurate model parameters.…”

Section: Hydrocarbon Mixture -Brinesupporting

confidence: 56%

“…Due to the development of the world economy and the increase in fossil fuel resource consumption, more attention has been paid to the exploration and recovery of deep oil and gas reservoirs, shale gas, and tight gas (Jacquemet et al, 2005;Sun et al, 2014). The deep reservoir conditions have wider P-T conditions, with temperatures up to 200 °C and pressures up to 1000 bar (Jacquemet et al, 2005;Kaszuba et al, 2003).…”

Section: Introductionmentioning

confidence: 99%

“…Many studies have modified the SAFT model to generate improved versions such as SAFT-HS (Huang and Radosz, 1990), SAFT-SW (Gil-Villegas et al, 1997), SAFT1 (Adidharma and Radosz, 1998), SAFT-LJ (Kraska and Gubbins, 1996;Blas and Vega, 1997;Chen et al, 1998) and so on. Sun and Dubessy (2010), Sun and Dubessy (2012), and Sun et al (2014) successfully modelled CO 2 -H 2 O, CO 2 -H 2 O-NaCl and light hydrocarbon-H 2 O systems based on the SAFT-LJ model. Another class of EOS that considers the association compressibility factor based on cubic models was proposed by Kontogeorgis et al (1996;1999).…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

Zhang

Luo

et al. 2015

Applied Geochemistry

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Section: Hydrocarbon Mixture -Brinesupporting

confidence: 56%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

Zhang

Luo

et al. 2015

Applied Geochemistry

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“…The former can be called ϕ-ϕ model, and they are widely used to deal with gasbrine equilibria, such as Søreide-Whitson model [1], CPA models [2], SAFT models [3]. The latter is called ϕ-model, and a lot of work used this way for gas solubility modeling [4]- [7].…”

Section: Introductionmentioning

confidence: 99%

Modeling of CO2-CH4-H2S-brine based on cubic EOS and fugacity-activity approach and their comparisons

Wei²,

2014

Energy Procedia

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The phase behavior of CO 2 -CH 4 -H 2 S-brine systems is of importance for geological storage of greenhouse gases (CCS) and enhanced oil recovery (EOR). In such projects, reservoir simulations play a major role in assisting decision makings, while modeling the phase behavior of the relevant CO 2 -CH 4 -H 2 S-brine system is a key part of the simulation. There is a need for an equation of state (EOS) for such system which is accurate, wide application range (pressure, temperature and aqueous salinity) computationally efficient and easy for implementation in a reservoir simulator.In this work, corresponding to the CO 2 -CH 4 -H 2 S-brine system, mutual solubility models are established by two different ways: (1) a cubic model based on the revision of the Søreide-Whitson EOS is used for fugacity calculation of both aqueous and non-aqueous phases (ϕ-ϕ model); (2) Peng-Robinson model is used for the fugacity calculation of non-aqueous phase and Pitzer activity model is used for the aqueous phase activity calculation (ϕ-model). Both model can accurately reproduce the existing experimental data to high temperature (250 o C), high temperature (1000 bar for CO 2 and CH 4 solubility, and 200 bar for H 2 S), and high salinity (6 molal of NaCl in solutions). The ϕ-model has slightly better accuracy. Computation efficiency of the two models is investigated. The ϕ-model has obvious better computation efficiency, and can be a good choice for the implementation in numerical simulators.

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“…Tan et al[11] developed a model for CO 2 , SO 2 and brine system equilibria using a "cubic plus association" (CPA) method. Sun and co-workers developed an improved "Statistical Associating Fluid Theory" (SAFT) model for CO 2 -brine and water-hydrocarbon systems by introducing a Lennard-Jones (LJ) term (SAFT-LJ models, [12][13][14]). CPA and SAFT type models usually have high computation accuracy, but are time-consuming and are not practical for reservoir simulation implementations.Carbonates (including calcite, magnesite and dolomite) are important minerals for CO 2 geologic storage.When CO 2 is injected into porous media with carbonate minerals, dissolution of carbonates into aqueous phase is enhanced.…”

mentioning

confidence: 99%

Thermodynamic Modeling of CO2-N2-O2-Brine-Carbonates in Conditions from Surface to High Temperature and Pressure

Ahmed²,

2018

Energies

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Nitrogen (N 2 ) and oxygen (O 2 ) are important impurities obtained from carbon dioxide (CO 2 ) capture procedures. Thermodynamic modeling of CO 2 -N 2 -O 2 -brine-minerals is important work for understanding the geochemical change of CO 2 geologic storage with impurities. In this work, a thermodynamic model of the CO 2 -N 2 -O 2 -brine-carbonate system is established using the "fugacity-activity" method, i.e., gas fugacity coefficients are calculated using a cubic model and activity coefficients are calculated using the Pitzer model. The model can calculate the properties at an equilibrium state of the CO 2 -N 2 -O 2 -brine-carbonate system in terms of gas solubilities, mineral solubilities, H 2 O solubility in gas-rich phase, species concentrations in each phase, pH and alkalinity. The experimental data of this system can be well reproduced by the presented model, as validated by careful comparisons in conditions from surface to high temperature and pressure. The model established in this work is suitable for CO 2 geologic storage simulation with N 2 or O 2 present as impurities.Thermodynamic modeling of CO 2 -impurities-brine systems is essential work for understanding subsurface fluid transport. It mainly consists of the modeling of phase partitioning, density and viscosity. Soreide and Whitson [7] constructed mutual solubility of multi-gases (including CO 2 , CH 4 , H 2 S and N 2 ) and brine systems. The model shows good accuracy at low temperature and pressure with a salinity less than 2 (molal). Li et al. [3] made modifications and achieved good accuracy at wider ranges of temperature, pressure and salinity for CO 2 -CH 4 -H 2 S-brine systems. Gas solubility modeling of CO 2 , N 2 and O 2 in water and brine has been performed by Duan and Sun [8], Mao and Duan [9] and Geng and Duan [10] based on comprehensive reviews of experimental data. These models can reproduce most of the experimental data over wide ranges of temperature, pressure and salinity. However, they can only consider single gas component cases, and cannot calculate multi-gas and brine system equilibria. Tan et al.[11] developed a model for CO 2 , SO 2 and brine system equilibria using a "cubic plus association" (CPA) method. Sun and co-workers developed an improved "Statistical Associating Fluid Theory" (SAFT) model for CO 2 -brine and water-hydrocarbon systems by introducing a Lennard-Jones (LJ) term (SAFT-LJ models, [12][13][14]). CPA and SAFT type models usually have high computation accuracy, but are time-consuming and are not practical for reservoir simulation implementations.Carbonates (including calcite, magnesite and dolomite) are important minerals for CO 2 geologic storage.When CO 2 is injected into porous media with carbonate minerals, dissolution of carbonates into aqueous phase is enhanced. Water property (such as pH, ion concentration, density and viscosity), porosity and permeability are affected consequently. Thermodynamic modeling work for CO 2 -brine-mineral systems began in the 1980s. Harvie and Weare [15] and Harvie et al. ...

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Calculation of vapor–liquid equilibrium and PVTx properties of geological fluid system with SAFT-LJ EOS including multi-polar contribution. Part III. Extension to water–light hydrocarbons systems

Cited by 18 publications

References 125 publications

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

Modeling of CO2-CH4-H2S-brine based on cubic EOS and fugacity-activity approach and their comparisons

Thermodynamic Modeling of CO2-N2-O2-Brine-Carbonates in Conditions from Surface to High Temperature and Pressure

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