Forced thermodynamic consistency for polynomial alpha functions - parameter listing
Forced thermodynamic consistency for polynomial alpha functions - parameter listing
The coefficients presented in this repository were obtained using a finite-temperature thermodynamic consistency enforcement limit of 2000 K. Within this imposed range, the Soave and Mathias–Copeman alpha functions were constrained to maintain physically meaningful derivative behavior, allowing the corresponding cubic equations of state to reproduce saturated vapor pressure and enthalpy of vaporization data while suppressing unphysical high-temperature extrapolation behavior. The 2000 K cutoff was selected as a practical regularization boundary that balances saturation-property accuracy, broad temperature coverage, and numerical stability.
This work was presented at the Regional Symposium on Chemical Engineering (RSCE-2025), held in Makati City, Philippines, on October 29, 2025, where it demonstrated the practical implementation of derivative-based consistency enforcement in modern cubic equations of state.
The full study has been published in the Journal of Molecular Liquids as:
Almajose, A.P.L. and Hernández, A. (2026). Finite-temperature consistency enforcement of polynomial alpha functions for improved vapor pressure and enthalpy of vaporization prediction with cubic equations of state. Journal of Molecular Liquids, 460, 129891. https://doi.org/10.1016/j.molliq.2026.129891
Last edited: September 1, 2026