Dynamic viscosity and interfacial tension of CO2 and n-tetracosane system by dynamic light scattering method and molecular simulation

In this work, the viscosity and interfacial tension of the CO2 + n-tetracosane system were obtained experimentally by dynamic light scattering method at the temperature range of 423.15 similar to 473.15 K and the pressure range of 1 similar to 5 MPa. A new coarse-grained force field for n-C24H50 was established with intramolecular parameters fitted according to the LOPLS all-atom force field and intermolecular parameters fitted according to the viscosity and interfacial tension of the pure n-C24H50. The viscosity and interfacial tension of CO2 + n-C24H50 were calculated by molecular simulation, and the average relative deviations between the calculated and experimental data are 5.2% and 9.9%, respectively. The minimum mixed-phase pressures of the CO2 + n-C24H50 were calculated to be 26.93 MPa, 27.14 MPa and 27.47 MPa at 423.15 K, 448.15 K and 473.15 K, respectively.