Ethanol–Water · NRTL · 101.325 kPaEthanol–water interactive vapour–liquid equilibrium

Parameters and data sources

NRTL (Aspen/DDB): a₁₂ = −0.8009, b₁₂ = 246.18 K, a₂₁ = 3.4578, b₂₁ = −586.0809 K, α = 0.3. Aspen Plus databank values regressed from the Dortmund Data Bank, tabulated in Beneke et al., Understanding Distillation Using Column Profile Maps (Wiley, 2013), Appendix B.

This study's fit: a_ij = 0, b₁₂ = −37.54 K, b₂₁ = 640.64 K (weighted least squares on the Kamihama et al. data). Van Laar: A₁₂ = 1.700, A₂₁ = 0.953 (same fit). Course example: values marked as illustrative in the course handout code.

Vapour pressure: report version = ethanol from the NIST WebBook (Ambrose & Sprake 1970), water from the IAPWS-IF97 saturation line; repo version = common tabulated mmHg / °C Antoine constants (valid for ethanol up to 80 °C).

Experimental data: N. Kamihama et al., J. Chem. Eng. Data 57 (2012) 339–344, via NIST TRC ThermoML; ΔH_mix minimum at 25 °C: Larkin (1975), Ott et al. (1986).