Diffusion Coefficients in Systems Related to Reservoir Fluids: Available Data and Evaluation of Correlations

Yang, Yibo; Stenby, Erling Halfdan; Shapiro, Alexander; Yan, Wei

doi:10.3390/pr10081554

Cited by 6 publications

(2 citation statements)

References 211 publications

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“…The lack of mutual diffusion coefficient data for high-pressure + hydrocarbon mixtures is in stark contrast to their importance for reservoir processes 20 . The temperature, pressure and composition dependencies of the Fick diffusion coefficient remain largely unexplored over a wide range of thermodynamic conditions 22 .…”

Section: Introductionmentioning

confidence: 94%

“…These correlations are simple, but do not rely on a molecular-scale understanding of the underlying diffusion process. Moreover, they often fail to accurately reproduce the Fick diffusion coefficient of sc mixtures 19 , 20 , especially near the critical point. For instance, the Stokes–Einstein-type correlations are mainly suited for the liquid-like region 7 , but tend to fail at low density 21 .…”

Section: Introductionmentioning

confidence: 99%

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Diffusion of hydrocarbons diluted in supercritical carbon dioxide

Saric,

Guevara-Carrion,

Gaponenko

et al. 2023

Sci Rep

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Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or naphthalene) diluted in supercritical carbon dioxide ($${\hbox {CO}}_{2}$$ CO 2 ) is studied by molecular dynamics simulation near the Widom line, i.e., in the temperature range from 290 to 345 K along the isobar 9 MPa. The $${\hbox {CO}}_{2}$$ CO 2 + aromatics mixtures are additionally sampled at 10 and 12 MPa and an experimental database with Fick diffusion coefficient data for those systems is provided. Taylor dispersion experiments of $${\hbox {CO}}_{2}$$ CO 2 with benzene, toluene, n-dodecane and 1,2,3,4-tetrahydronaphthalene are conducted along the $$p =$$ p = 10 MPa isobar. Maxwell–Stefan and Fick diffusion coefficients are analyzed, together with the thermodynamic factor that relates them. It is found that the peculiar behavior of the Fick diffusion coefficient of some $${\hbox {CO}}_{2}$$ CO 2 mixtures in the extended critical region is a consequence of the thermodynamic factor minimum due to pronounced clustering on the molecular scale. Further, the strong dependence of the Fick diffusion coefficient on the molecular mass of the solute as well as the breakdown of the Stokes–Einstein relation near the Widom line are confirmed. Eleven correlations for the prediction of the Fick diffusion coefficient of $${\hbox {CO}}_{2}$$ CO 2 mixtures are assessed. An alternative two-step approach for the prediction of the infinite dilution Fick diffusion coefficient of supercritical $${\hbox {CO}}_{2}$$ CO 2 mixtures is proposed. It requires only the state point in terms of temperature and pressure (or density) as well as the molecular solute mass as input parameters. First, entropy scaling is applied to estimate the self-diffusion coefficient of $${\hbox {CO}}_{2}$$ CO 2 . Subsequently, this coefficient is used to determine the infinite dilution Fick diffusion coefficient of the mixture, based on the finding that these two diffusion coefficients exhibit a linear relationship, where the slope depends only on the molecular solute mass.

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Section: Introductionmentioning

confidence: 94%