| dc.description.abstract | This study analyzes two cubic equations of state (CEoS), the Redlich-Kwong (RK) and PengRobinson (PR) CEoS, to calculate the properties of 151 pure components. The components were
grouped by their intermolecular interactions (polar, non-polar, hydrogen bonding) and their
saturation pressure (P
sat), enthalpy of vaporization (∆Hv), and saturated liquid heat capacity (Cp
sat)
were calculated using a unique combination of the PR and RK CEoS paired with either the Twu or
Soave α-functions. Outliers were eliminated using a quantile regression algorithm; additionally, a
set of constraints proposed by Le Guennec et al.(Le Guennec et al. 2016) was applied to ensure
that thermodynamic consistency was enforced during optimization. The four models tested were
named PR-Twu, PR-Soave, RK-Twu, and RK-Soave, based on the equation of state and alpha
function used. The PR-Twu and RK-Twu models predict P
sat
, ∆Hv, and Cp
sat more accurately than
the PR-Soave and RK-Soave models. [...] | en_US |
