A new equation of state for CCS pipeline transport: Calibration of mixing rules for binary mixtures of CO2 with N-2, O-2 and H-2

作者：Demetriades Thomas A; Graham Richard S

来源：Journal of Chemical Thermodynamics, 2016, 93: 294-304.

DOI：10.1016/j.jct.2015.07.045

• Carbon dioxide
• Carbon capture and storage
• Equations of state
• Vapour liquid equilibrium

One of the aspects currently holding back commercial scale deployment of carbon capture and storage (CCS) is an accurate understanding of the thermodynamic behaviour of carbon dioxide and relevant impurities during the pipeline transport stage. In this article we develop a general framework for deriving pressure-explicit EoS for impure CO2. This flexible framework facilitates ongoing development of custom EoS in response to new data and computational applications. We use our method to generalise a recent EoS for pure CO2 (Demetriades et al., 2013) to binary mixtures with N-2, O-2 and H-2, obtaining model parameters by fitting to experiments made under conditions relevant to CCS-pipeline transport. Our model pertains to pressures up to 16 MPa and temperatures between 273 K and the critical temperature of pure CO2. In this region, we achieve close agreement with experimental data. When compared to the GERG EoS, our EoS has a comparable level of agreement with (CO2 + N-2) VLE experiments and demonstrably superior agreement with the O-2 and H-2 VLE data. Finally, we discuss future options to improve the calibration of EoS and to deal with the sparsity of data for some impurities.

• 出版日期2016-2