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 thernmodelling and the design of processes that use supercritical carbon dioxide to extractrnsolid solutes. However, the main difficulty is the choice of the most appropriaterncombination of an equation of state (EOS) and a mixing rule (MR).rnConsequently, this work is concerned with the modelling of the solubility of four solidrncompounds, namely Phenanthrene (PH), Anthracene (AN), Pentachlorophenol (PCP)rnand Hexachlorobenzene (HCB), in supercritical carbon dioxide.rnFor each compound the three EOS, namely Peng Robinson (PR), Soave (S) and RedlichrnKwong and Soave (RKS) were considered in combinations with van der Waals andrnWong-Sandler mixing rules.rnFor PH and AN, the operating conditions were a temperature of 313K and a pressurernrange of 87.5-200 bars. The best results for AN and PH were given by the Soave-VDWrnand the PR-VDW models, respectively.rnFor PCP and HCB the solubility modeling was performed at 308 K and at pressurernranging from 72 to 200 bars, and the PR-WS and Soave-VW combinations seemed to bernthe most adequate, respectively.