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oai:figshare.com:article/34027228 2026-09-29T18:12:30Z category_1 category_7 category_21 category_873 category_39 category_734 portal_63 item_type_6 month_year_09_2026

A Multi-Parameter Correction Model for Predicting IFT and MMP of CO₂–Oil Systems Quanling Qin (25089427) Kang Zhou (122652) Zhixin Gao (10775671) Mengfan Zhang (10035475) Yongge Liu (3798460) Bei Wei (1584382) Qingjun Du (25089430) Weibing Tian (11843441) Erpeng Guo (14124546) Jian Hou (93442) Biophysics Medicine Biotechnology Chemical Sciences not elsewhere classified Ecology Biological Sciences not elsewhere classified model reproduced literature mechanistic analysis showed liquid interfacial behavior binary interaction coefficient 80 ° c correction models focus less consistently treated based ift prediction 6 mpa decreased 5 nm pore parameter correction model parameter shifts 48 mpa mmp decreased thermodynamic inputs smaller pores simplified mixed relative deviations predicting ift nanoporous media miscibility development ift data hydrocarbon systems higher temperatures flash calculations experimental benchmarks cubic equation critical volume composition effects comparing pore chain hydrocarbons additional comparisons acentric factor 613 mn Gas-liquid interfacial behavior in nanoconfined CO₂-hydrocarbon systems controls interfacial tension (IFT), minimum miscibility pressure (MMP), and miscibility development in nanoporous media. 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 CO₂–C6 MMP, less than 3% for confined CO₂–C6 MMP, and 3.49% for a CO₂-mixed hydrocarbon system. Additional comparisons with experimental MMP/IFT data and SAFT-based calculations showed consistent pressure and pore-size trends. The full-parameter correction gave lower IFT and MMP than correction of only critical temperature and critical pressure. For CO₂–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 CO₂-alkane and simplified mixed-hydrocarbon systems. Extension to complex crude oils requires reliable compositional and thermodynamic inputs. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.langmuir.6c03683.s001 https://figshare.com/articles/journal_contribution/A_Multi-Parameter_Correction_Model_for_Predicting_IFT_and_MMP_of_CO_sub_2_sub_Oil_Systems/34027228 CC BY-NC 4.0