Towards predictive association theories

Kontogeorgis, Georgios M.; Tsivintzelis, Ioannis; Michelsen, Michael Locht; Stenby, Erling Halfdan

doi:10.1016/j.fluid.2010.11.025

Cited by 24 publications

(27 citation statements)

References 49 publications

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“…65 Similar cross-associating interactions for (carbon dioxide + water) were suggested by Valtz et al who used the SAFT-VR equation, 66 this time considering the possibility of CO 2 as a self-associating compound; however a value close to zero was found for the resulting bonding energy leading to the conclusion that the additional interaction is not needed. Later studies of the same system with the SAFT-VR equation have resulted in similar findings: the properties of (carbon dioxide + water) can be predicted accurately without incorporating association between the two species.…”

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confidence: 53%

Experimental and Molecular Modeling Study of the Three-Phase Behavior of (n-Decane + Carbon Dioxide + Water) at Reservoir Conditions

2011

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Knowledge of the phase behaviour of mixtures of oil with carbon dioxide and water is essential for reservoir engineering, especially in the processes of enhanced oil recovery and geological storage of carbon dioxide. However, for a comprehensive understanding, the study of simpler systems needs to be completed. In this work the system (n-decane + carbon dioxide + water) was studied as a model (oil + carbon dioxide + water) mixture. To accomplish our aim, a new analytical apparatus to measure phase equilibria at high pressure was designed with maximum operating temperature and pressure of 423 K and 45 MPa, respectively. The equipment relies on recirculation of two coexisting phases using a two-channel magnetically operated micro-pump designed during this work, with sampling and on-line compositional analysis by gas chromatography. The apparatus has been validated by comparison with published isothermal vapour-liquid equilibrium data for the binary system (n-decane + carbon dioxide). New experimental data have been measured for the system (n-decane + carbon dioxide + water) under conditions of three-phase equilibria. Data for the three coexisting phases have been obtained on five isotherms at temperatures from (323 to 413) K and at pressures up to the point at which two of the phases become critical. The experimental work is 1 complemented here with a theoretical effort in which we developed models for these molecules within the framework of the statistical associating fluid theory for potentials of variable range (SAFT-VR). The phase behaviour of the three binary subsystems was calculated using this theory and, where applicable, a modification of the Hudson and McCoubrey combining rules was used to treat the systems predictively. The experimental data obtained for the ternary mixture are compared to the predictions of the theory. Furthermore, a detailed analysis of the ternary mixture is carried out based on comparison with available data for the constituent binary subsystems. In this way, we analysed the observed effects on the solubility when the third component was added.

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confidence: 53%

Experimental and Molecular Modeling Study of the Three-Phase Behavior of (n-Decane + Carbon Dioxide + Water) at Reservoir Conditions

2011

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“…The prediction is especially promising when we have higher concentration of MEG in the feed mixture. It is also important to mention that the predictions are as good as for systems of well defined HC (n-hexane, 2,2,4-trimethylpentane) with MEG and water against recently published data [30,31].…”

Section: Table 11mentioning

confidence: 69%

Mutual solubility of MEG, water and reservoir fluid: Experimental measurements and modeling using the CPA equation of state

Riaz

Kontogeorgis

Stenby

et al. 2011

Fluid Phase Equilibria

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“…Mixtures of acid gases (H 2 S, CO 2 ) with water, alkanes and glycols are important in various applications especially in the petroleum but also the chemical industries [1][2][3][4][5][6]. Glycols are used as gas hydrate inhibitors in gas production and transportation facilities, while they are used as solvents for water in gas dehydration process.…”

Section: Introduction and Modelling Approachesmentioning

confidence: 99%

Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO 2 transport applications

Tsivintzelis

Kontogeorgis

2016

The Journal of Chemical Thermodynamics

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Towards predictive association theories

Cited by 24 publications

References 49 publications

Experimental and Molecular Modeling Study of the Three-Phase Behavior of (n-Decane + Carbon Dioxide + Water) at Reservoir Conditions

Experimental and Molecular Modeling Study of the Three-Phase Behavior of (n-Decane + Carbon Dioxide + Water) at Reservoir Conditions

Mutual solubility of MEG, water and reservoir fluid: Experimental measurements and modeling using the CPA equation of state

Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO 2 transport applications

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