A generalized approach to prediction of two and three phase CO2-hydrocarbon equilibria

Trebble, Mark A.; Salim, Paul H.; Sigmund, P.M.

doi:10.1016/0378-3812(93)87134-m

Cited by 13 publications

(8 citation statements)

References 11 publications

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“…As already mentioned in the Introduction, recently, several authors attempted to model the vapor−liquid phase behavior of CO 2 + n -alkane mixtures with EOSs. Until a few years ago, most of these EOSs were cubic; − only Cotterman and Praunitsz used a statistical-mechanics-based EOS (PSCT). Recently, several authors used PC-SAFT EOS for this task. ,,, However, the investigation of these systems was made systematically only in some cases.…”

Section: Results Of Correlation and Prediction Of Phase Equilibriamentioning

confidence: 99%

“…The model used here clearly seems to be systematically and rather significantly better than that of Le Thi et al 8 As already mentioned in the Introduction, recently, several authors attempted to model the vapor-liquid phase behavior of CO 2 + n-alkane mixtures with EOSs. Until a few years ago, most of these EOSs were cubic; [41][42][43][44][45] However, the investigation of these systems was made systematically only in some cases.…”

Section: Co 2 + Alkane Systemsmentioning

confidence: 99%

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Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

NguyenHuynh¹,

Passarello²,

Tobaly³

et al. 2008

Ind. Eng. Chem. Res.

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Here, a group contribution statistical associating fluid theory equation of state (SAFT EOS) (GC-SAFT) proposed earlier by our group (Tamouza et al., Fluid Phase Equilib. 2004, 222-223, 67-76) is extended to some asymmetric systems, using a method for correlating the k ij binary parameters, using only pure compound parameters. The method is inspired by London's theory of dispersive interactions and correlates the k ij values to the "pseudo-ionization energies" of compounds i and j (denoted as J i and J j , respectively). A group contribution for the latter parameters is also proposed, in view of obtaining a more-predictive model. Correlation tests of phase equilibria are conducted on some CO 2 + n-alkane systems. Using the parameters thus obtained, the phase envelopes of other CO 2 + n-alkane systems, as well as methane + n-alkane and ethane + n-alkane systems, were fully predicted. Correlation and predictions are qualitatively and quantitatively satisfactory. The deviations are within 4%-5% (i.e., comparable to those obtained on previously investigated systems).

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Section: Results Of Correlation and Prediction Of Phase Equilibriamentioning

confidence: 99%

Section: Co 2 + Alkane Systemsmentioning

confidence: 99%

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

NguyenHuynh¹,

Passarello²,

Tobaly³

et al. 2008

Ind. Eng. Chem. Res.

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“…Kordas et al 9 investigated CO 2 -n-alkane systems with a translated modified PR EOS and proposed an improved temperature-dependent correlation for binary interaction parameters. Trebble et al 10 used a generalized form of the PR EOS to calculate two and three phase equilibria in systems containing dense CO 2 in contact with both well-defined hydrocarbons and reservoir oils. Pasarello et al 11 used statistical associating fluid theory (SAFT) to study the mutual solubilities of CO 2 -n-alkane binary systems.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Vapor−Liquid Equilibria for Supercritical Carbon Dioxide and Hydrocarbon Mixtures by Perturbed-Chain Statistical Associating Fluid Theory

Liang

et al. 2006

Ind. Eng. Chem. Res.

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The perturbed-chain statistical associating fluid theory (PC-SAFT) is used to investigate the vapor-liquid equilibria for binary supercritical carbon dioxide (CO 2 ) and hydrocarbon mixtures. The molecular parameters m, σ, and /k for pure CO 2 and hydrocarbons with carbon number n e 20 are taken from the work of Gross and Sadowski. m, σ, and /k for n-alkanes with n > 20 are obtained by extrapolation from the linear relationships between molecular parameters and molecular weight M w . The binary interaction parameters (k ij ) are regressed by using the experimental data. Investigation shows PC-SAFT is able to accurately describe the vaporliquid-phase equilibria for both CO 2 -light hydrocarbon and CO 2 -heavy n-alkane (up to C 44 ) binary mixtures. When the carbon number n in each hydrocarbon ranges from 1 to 20, the regressed k ij increases monotonically with the increase of n. However, when n is greater than 20, there is a unique binary interaction parameter (k ij ) 0.16) that can well describe the vapor-liquid-phase equilibria for CO 2 -eicosane, CO 2 -octacosane, CO 2hexatriacontane, and CO 2 -tetratetracontane binary mixtures.

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“…The lower boundary calculated from the model is overestimated, while the upper prediction is accurate with an overall AARD of 6.08% for six data points. In addition, it is found that the predicted three-phase region is also smaller than the experimental measurements elsewhere …”

Section: Resultsmentioning

confidence: 68%

“…In addition, it is found that the predicted threephase region is also smaller than the experimental measurements elsewhere. 66…”

Section: Energy and Fuelsmentioning

confidence: 99%

Determination of Multiphase Boundaries and Swelling Factors of Solvent(s)–CO₂–Heavy Oil Systems at High Pressures and Elevated Temperatures

Yang

2013

Energy Fuels

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A generalized methodology has been proposed and successfully applied to determine multiphase boundaries as well as swelling factors of solvent(s)−CO 2 −heavy oil systems at high pressures and elevated temperatures. Experimentally, twoand three-phase boundaries and swelling factors have been respectively measured by conducting PVT tests in the temperature range of 280.45 to 396.15 K. Theoretically, the Peng−Robinson equation of state (PR EOS) combined with the modified alpha function has been applied to describe phase behavior of the solvent(s)−CO 2 −heavy oil systems. More specifically, an exponential distribution function is used to split a heavy oil sample, whereas the logarithm-type lumping method is employed to group single carbon numbers (SCNs) into multiple carbon numbers (MCNs). The exponents associated with two binary interaction parameter (BIP) correlations are respectively tuned for the alkane solvent-pseudocomponent pair and CO 2 -pseudocomponent pair to match the measured saturation pressures. It is found that six pseudocomponents combined with the BIP correlation as a function of critical volume is sufficient to predict saturation pressure with an absolute average relative deviation (AARD) of 5.07%. In addition, the PR EOS model associated with the selected parameters is applied to predict three-phase boundaries for a C 3 H 8 −CO 2 −heavy oil mixture and a n-C 4 H 10 −CO 2 −heavy oil mixture yielding an overall AARD of 4.58%. As for swelling factors, the Peneloux et al. method provides the minimum AARD of 2.09% in comparison with 4.00% from the Jhaveri et al. method and 2.41% from the Twu et al. method, respectively.

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A generalized approach to prediction of two and three phase CO2-hydrocarbon equilibria

Cited by 13 publications

References 11 publications

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Investigation of Vapor−Liquid Equilibria for Supercritical Carbon Dioxide and Hydrocarbon Mixtures by Perturbed-Chain Statistical Associating Fluid Theory

Determination of Multiphase Boundaries and Swelling Factors of Solvent(s)–CO₂–Heavy Oil Systems at High Pressures and Elevated Temperatures

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A generalized approach to prediction of two and three phase CO2-hydrocarbon equilibria

Cited by 13 publications

References 11 publications

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a kij Correlation Method Based on London’s Theory. 1. Application to CO2 + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a kij Correlation Method Based on London’s Theory. 1. Application to CO2 + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Investigation of Vapor−Liquid Equilibria for Supercritical Carbon Dioxide and Hydrocarbon Mixtures by Perturbed-Chain Statistical Associating Fluid Theory

Determination of Multiphase Boundaries and Swelling Factors of Solvent(s)–CO2–Heavy Oil Systems at High Pressures and Elevated Temperatures

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Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k_ij Correlation Method Based on London’s Theory. 1. Application to CO₂ + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane Systems

Determination of Multiphase Boundaries and Swelling Factors of Solvent(s)–CO₂–Heavy Oil Systems at High Pressures and Elevated Temperatures