Modeling high pressure vapor–liquid equilibrium of ternary systems containing supercritical CO2 and mixed organic solvents using Peng–Robinson equation of state

Estimation and Correlation of Phase Equilibrium of CO2–Hydrocarbon Systems with PRMHV2-UNIFAC and PRMHV2-NRTL Models

“…The deviations of the alkane with a long chain length (such as n-decane) were larger than those of a short-length alkane (such as n-pentane). For the CO 2 −aromatic systems, the UNIFAC 80 PR+LCVM+UNIFAC, 81 and PR+WS +NRTL. 62 The KIE+PREoS+HV model shows good calculation results, but it is a semipredictive model and not a group contribution model.…”

“…At present, many different EoS models for calculating thermodynamic properties have been proposed. Several EoS/ G E -type models with good reported predictive behaviors were selected for comparison, such as KIE+PREoS+HV, PR+LCVM+UNIFAC, and PR+WS+NRTL …”

Research on Binary Phase Equilibrium for 1-Methylnaphthalene + CO2

“…The SRK and PR EOS are currently the most widely used cubic equations in fluid thermodynamic calculations and gas–liquid equilibrium properties, and these two EOSs perform particularly well in predicting the phase behavior involving supercritical CO 2 and organic compounds, , which is why these two EOSs are chosen to correlate the measured data for 1-methylnaphthalene + supercritical CO 2 .…”

Assessment of the liquid mixture density effect on the prediction of supercritical carbon dioxide volume expansion of organic solvents by Peng-Robinson equation of state

“…However, literature reports that this assumption should not always be done, because large errors can occur in the prediction of density, which consequently would lead to miscalculation of the degree of volume expansion [15]. On the other hand, other reports found in literature show that volume expansion calculated from a cubic equation of state fitted only to bubble pressure data can accurately reproduce volume expansion experimental data even when the model is unable to accurately calculate the respective liquid mixture density [11,16,17]. As volume expansion and liquid density, by definition, are directly related, the following issue arises: why models that fail to accurately describe the liquid mixture density are able to provide a good prediction of volume expansion?…”

“…However, one should be sure that vapor-liquid equilibrium has been reached at each point of volume expansion measured. For this reason, the bubble point pressure and the vapor composition of the system organic solvent-supercritical anti-solvent should be well known [11].…”