Almajose-Dalida EOS | Mixture Parameter Database

Margules, Van Laar, Wilson, and NRTL parameters listed in this database are intended to be used with AD-EOS through an HVOS-type mixing rule. The original HVOS approach is a mixing framework designed to incorporate excess Gibbs energy models (Gᴱ/RT) into EOS mixture calculations. In this work, the HVOS approach is extended to a three-parameter equation of state, specifically AD-EOS, enabling direct use of widely available Gᴱ/RT model parameters for AD-EOS mixture predictions. 

This database also provides EOS binary interaction parameters for AD-EOS using the van der Waals one-fluid (vdW1F) mixing rule. Several cross-term formulations are included:

• Default (1 − kᵢⱼ)

• Panagiotopoulos–Reid (PR) cross-term option

• Mathias–Klotz–Prausnitz (MKP) cross-term option

• Margules, Van Laar, Wilson, and NRTL parameters are intended for use with AD-EOS through the HVOS-type mixing rule extension described above.

• Temperature dependence energy parameters for WILSON and NRTL are in cc·bar/mol units.

• vdW1F parameters correspond to AD-EOS using the classical van der Waals one-fluid mixing rule. The following cross-term options are available: 

• • 1. Default (1 − kᵢⱼ)

    2. Panagiotopoulos–Reid

    3. Mathias–Klotz–Prausnitz

• If a parameter set is unavailable for a given model and pair, the entry is shown as N/A.

• Pure component critical properties and the Twu-3 parameter alpha function coefficients are made available for convenience.