Modeling of critical lines and regions for binary and ternary mixtures using non-cubic and cubic equations of state

摘要: In this work, two non-cubic equations of state, Perturbed Chain Statistical Association Fluid Theory (PC-SAFT) and Simplified Hard (SPHCT) were used to predict critical lines regions for several binary ternary systems, by fitting one interaction parameter (κij) each system. Results compared with experimental data, which included inorganic gases, hydrocarbons (light heavy paraffins, non-saturated olefins aromatics), alcohols, carbon monoxide dioxide. These data covered wide ranges temperatures pressures are commonly in industry. For comparison, the also modeled using cubic state: well-known Peng–Robinson equation (PR) Patel–Teja–Valderrama (PTV). PC-SAFT SPHCT pure-component parameters obtained regression, adjusting such as vapor pressure saturated liquid molar volume (taken from DIPPR 1.2.0). Excellent results EoS, while SPHCT, PR PTV EoS did not have a good performance. The Heidemann Khalil algorithm, nested single-variable iteration loops (an internal loop an external temperature), was locating single liquid–liquid or vapor–liquid point.