Prediction of Antoine constants using a group contribution method

Vapor pressure is one of the important properties necessary for process design. Antoine equation has been widely used to evaluate the vapor pressures. This article deals with the proposal of a method for predicting the Antoine constants using a group contribution method. The 1817 compounds treated h...

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Veröffentlicht in:	Fluid phase equilibria 2010-10, Vol.297 (2), p.200-204
Hauptverfasser:	Tochigi, K., Yamagishi, M., Ando, S., Matsuda, H., Kurihara, K.
Format:	Artikel
Sprache:	eng
Schlagworte:	Antoine constant Chemical thermodynamics Chemistry Constants Design engineering Exact sciences and technology Fluid dynamics Fluid flow Fluids General and physical chemistry General. Theory Group contribution method Mathematical analysis Phase equilibria Proposals Vapor pressure
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Beschreibung
Zusammenfassung:	Vapor pressure is one of the important properties necessary for process design. Antoine equation has been widely used to evaluate the vapor pressures. This article deals with the proposal of a method for predicting the Antoine constants using a group contribution method. The 1817 compounds treated here are grouped into six classes. The group contribution parameters for each class have been determined using a regression analysis. The group contribution method with help of experimental normal boiling point has good results for predicting the vapor pressures.
ISSN:	0378-3812 1879-0224
DOI:	10.1016/j.fluid.2010.05.011