手法を比較

	UNIFAC	Peng-Robinson状態方程式	反応蒸留
分野	応用物理学	応用物理学	応用物理学
系統	Process / pipeline	Process / pipeline	Process / pipeline
提唱年	1975	1976	1995
提唱者	Aage Fredenslund, Russell Jones, John Prausnitz	Ding-Yu Peng and David Bernard Robinson	Klaus Sundmacher
種類	Activity coefficient model; predictive liquid-phase property method	Equation of state; thermodynamic property correlation	Integrated reaction-separation process model
原典	Fredenslund, A., Jones, R. L., & Prausnitz, J. M. (1975). Group-contribution estimation of activity coefficients in nonideal liquid mixtures. AIChE Journal, 21(6), 1086-1099.	Peng, D. Y., & Robinson, D. B. (1976). A new two-constant equation of state. Industrial & Engineering Chemistry Fundamentals, 15(1), 59-64.	Sundmacher, K., & Kienle, A. (2003). Reactive Distillation: Status and Future Directions. Wiley-VCH. ISBN: 978-3-527-30623-9
別名	UNIFAC predictive model, UNIQUAC functional-group contribution	PR-EOS, Peng-Robinson model	integrated distillation-reaction, reactive column, reaction with separation
関連	3	4	4
概要	UNIFAC (Universal Functional-group Activity Coefficient) is a predictive model for liquid-phase activity coefficients of multicomponent mixtures. Developed by Fredenslund, Jones, and Prausnitz in 1975, it decomposes molecules into functional groups and uses group interaction parameters to estimate non-ideal behavior. UNIFAC is revolutionary because it can predict phase equilibria for mixtures never experimentally measured, making it invaluable for process design and chemical engineering.	The Peng-Robinson equation of state is a cubic model that describes the thermodynamic properties of pure fluids and mixtures. Introduced by Ding-Yu Peng and David Bernard Robinson in 1976, it improves upon earlier models (van der Waals, Redlich-Kwong) by better predicting compressibility factors and phase equilibria, especially near the critical point. It is widely used in petroleum engineering, chemical process design, and natural gas calculations.	Reactive distillation couples reaction and separation in a single column, where reactants are separated from products continuously while simultaneously undergoing reaction on catalytic trays. Pioneered in the 1990s by Klaus Sundmacher and others, this process intensification technique dramatically reduces capital cost, energy consumption, and environmental impact for suitable reactions. It is now industrially proven for esterification, hydration, and transesterification processes.