Investigation Of The Phase Equilibria, Interfacial Tension And Adsorption Isotherm For Carbon Dioxide- Sulfur Dioxide Binary Mixtures

The main purpose of this thesis is to theoretically illustrate the thermodynamics properties like phase equilibria and surface tensions in bulk phases of CO₂, SO₂ and their binary mixtures, and the adsorption-desorption behavior and separation capacity of these gases confined in zeolite and nanotube.To this end, the perturbed-chain statistical associating fluid theory (PC-SAFT) and density-gradient theory (DGT) were used to construct an equation of state (EOS) for the phase behaviors of the binary mixtures of carbon dioxide (CO₂) and sulfur dioxide (SO₂). The p-x diagrams at 263K and 333K, and the p-T diagrams corresponding to x CO₂=0.8871 and 0.6213 were satisfactorily calculated as compared to the experimental data. With the influence parameters of pure components and the equilibrium bulk properties of mixtures as input, the interfacial properties of CO₂-SO₂ binary mixtures in a wide temperature range were predicted, and the influences of temperature, pressure and bulk properties on the surface tension were discussed.Besides the theoretical work, the Monte Carlo simulation method was used to simulate the adsorption isotherms of CO₂, SO₂ and CO₂-SO₂ binary mixtures confined in zeolite and nanotube. The influence of temperature and pressure on the absorption capacity of CO₂ and SO₂ was analyzed. The optimized operation conditions for the separation of CO₂ and SO₂ was theoretically determined.