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Home  //  News  //  SAFT-VR DFT for mixtures allows us to determine interfacial properties of mixtures of relevance to reservoir engineering

SAFT-VR-DFT We have applied the SAFT-VR DFT approach for mixtures, which is a formalism based on Density Functional Theory (DFT) and the Statistical Associating Fluid Theory (SAFT), to deal with real substances of relevance in industry. In the figure (Fig. 9 of the manuscript published in Fluid Phase Equilibria), we represent the isothermal pressure-composition Px projections of the fluid phase diagram at (a) 348.15 K and (b) 298.15 K, and (c) interfacial tension for the carbon dioxide + water binary mixture at 298.15 K (circles) and 318.15 K (squares). The continuous curves in (a) and (b) are the description with the SAFT-VR approach using a value of the binary interaction parameter of kij= 0.0150, estimated from the experimental fluid phase equilibrium data in the carbon dioxide-rich phase at 348.15 K; the dashed curves in (a) and (b) are the corresponding description with SAFT-VR using a kij=−0.0600, taken from Mac Dowell et al. [82]. The curves in (c) are calculated using the full SAFT-VR DFT treatment with kij = 0.0150. The symbols are the experimental data for the fluid phase equilibria [134] and interfacial tension [120,121].

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