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Experimental validation of perfumery ternary diagram® methodology
Author(s) -
Gomes Paula B.,
Mata Vera G.,
Rodrigues Alírio E.
Publication year - 2008
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.11353
Subject(s) - unifac , odor , ternary operation , chemistry , vanillin , limonene , chromatography , thermodynamics , organic chemistry , activity coefficient , essential oil , computer science , physics , aqueous solution , programming language
The new methodology based on Perfumery Ternary Diagram® (PTD®) used to predict the odor value (OV) of a perfume mixture was updated and validated through experimental measurements of odor threshold values and headspace concentrations, using a perfume test mixture of limonene, geraniol, vanillin, and ethanol. The influence of the odor threshold values on the PTD® was considered. The experimental OV values were compared with OV values predicted by PTD® model, for the ideal case (considering no molecular interactions) and nonideal case (using UNIFAC model to account for molecular interactions). It was found that PTD® results fit reasonably well the experimental data, except for vanillin. Nevertheless, the PTD® methodology has proven to be useful in predicting the odor of perfume mixtures and to study the influence of the liquid composition on the headspace compositions, odor values, and its smell. © 2007 American Institute of Chemical Engineers AIChE J, 2008