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Data · dataset · 2026

A Multi-Parameter Correction Model for Predicting IFT and MMP of CO<sub>2</sub>–Oil Systems

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Gas-liquid interfacial behavior in nanoconfined CO<sub>2</sub>-hydrocarbon systems controls interfacial tension (IFT), minimum miscibility pressure (MMP), and miscibility development in nanoporous media.

Description

Most confinement-correction models focus on critical temperature and critical pressure, while changes in the acentric factor, critical volume, binary interaction coefficient, and parachor are less consistently treated.

Here, we developed a multi-parameter thermodynamic correction framework that combines a cubic equation of state, flash calculations, and parachor-based IFT prediction. The model reproduced literature and experimental benchmarks with relative deviations of 1.44% for bulk CO<sub>2</sub>–C6 MMP, less than 3% for confined CO<sub>2</sub>–C6 MMP, and 3.49% for a CO<sub>2</sub>-mixed hydrocarbon system. Additional comparisons with experimental MMP/IFT data and SAFT-based calculations showed consistent pressure and pore-size trends.

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The full-parameter correction gave lower IFT and MMP than correction of only critical temperature and critical pressure. For CO<sub>2</sub>–C8 at 80 °C in a 5 nm pore, the IFT at 6 MPa decreased from 2.52 to 0.613 mN/m, and the MMP decreased from 12.75 to 11.48 MPa after all parameter shifts were included. The correction effect became stronger in smaller pores, at higher temperatures, and for longer-chain hydrocarbons.

Mechanistic analysis showed that pressure and stronger confinement promote gas–liquid compositional homogenization, whereas temperature regulates miscibility non-monotonically. The workflow is most suitable for comparing pore-size, temperature, pressure, and composition effects in CO<sub>2</sub>-alkane and simplified mixed-hydrocarbon systems. Extension to complex crude oils requires reliable compositional and thermodynamic inputs.

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