Equation of State-Mixing Rule Combinations Based Assessment of Solid-Fluid Equilibria Modelling at High Pressure for Various Systems

摘要

The calculations of solid-fluid equilibrium at high pressure are important for the modelling and the design of processes that use supercritical carbon dioxide to extract solid solutes. However, the main difficulty is the choice of the most appropriate combination of an equation of state (EOS) and a mixing rule (MR). Consequently, this work is concerned with the modelling of the solubility of four solid compounds, namely Phenanthrene (PH), Anthracene (AN), Pentachlorophenol (PCP) and Hexachlorobenzene (HCB), in supercritical carbon dioxide. For each compound the three EOS, namely Peng Robinson (PR), Soave (S) and Redlich Kwong and Soave (RKS) were considered in combinations with van der Waals and Wong-Sandler mixing rules. For PH and AN, the operating conditions were a temperature of 313K and a pressure range of 87.5-200 bars. The best results for AN and PH were given by the Soave-VDW and the PR-VDW models, respectively. For PCP and HCB the solubility modeling was performed at 308 K and at pressure ranging from 72 to 200 bars, and the PR-WS and Soave-VW combinations seemed to be the most adequate, respectively.