TY - JOUR
T1 - Modelling diffusion of fragrances
T2 - a radial perspective
AU - Pereira, Joana
AU - Costa, Patrícia
AU - Loureiro, José Miguel
AU - Rodrigues, Alírio E.
N1 - Funding Information:
This work was financially supported by: Project POCI-01-0145-FEDER-006984–Associate Laboratory LSRE-LCM funded by FEDER through COMPETE2020—Programa Operacional Compet-itividade e Internacionalização (POCI)—and by national funds through FCT—Fundaca̧ õ para a Cienciâ e a Tecnologia. P. Costa acknowledges her postdoctoral grant from the Fundação para a Ciência e a Tecnologia (SFRH/BPD/93108/2013).
Funding Information:
This work was financially supported by: Project POCI-01-0145-FEDER-006984?Associate Laboratory LSRE-LCM funded by FEDER through COMPETE2020?Programa Operacional Competitividade e Internacionaliza??o (POCI)?and by national funds through FCT?Funda??o para a Ci?ncia e a Tecnologia. P. Costa acknowledges her postdoctoral grant from the Funda??o para a Ci?ncia e a Tecnologia (SFRH/BPD/93108/2013).
Publisher Copyright:
© 2018 Canadian Society for Chemical Engineering
PY - 2019/1
Y1 - 2019/1
N2 - In the present study, a theoretical model based on Fick's second law for radial diffusion is proposed for modelling the radial diffusion of fragrances. For that, three fragrance systems were studied containing α-pinene and limonene as pure components, or a mixture of α-pinene, limonene, linalool, and geranyl acetate. This model combines the UNIFAC group contribution method for the vapour-liquid equilibrium with the Fickian radial diffusion model. The experimental gas concentrations of the odorant components were measured in a diffusion tube (1D axial diffusion) and quantified using gas chromatography with a flame ionization detector. The numerical solutions were obtained using the general Process Modelling Systems (gPROMS) software version 4.2.0. An equivalence relation between the 1D axial diffusion model and 1D radial diffusion model was developed. Finally, the odour intensity and character of the studied fragrance systems were assessed using Stevens’ power law and the strongest component model, respectively. The obtained results showed good agreement between the numerical simulation and the experimental gas concentration data, suggesting the proposed methodology as an efficient tool to assess the radial diffusion of fragrance systems over time and distance.
AB - In the present study, a theoretical model based on Fick's second law for radial diffusion is proposed for modelling the radial diffusion of fragrances. For that, three fragrance systems were studied containing α-pinene and limonene as pure components, or a mixture of α-pinene, limonene, linalool, and geranyl acetate. This model combines the UNIFAC group contribution method for the vapour-liquid equilibrium with the Fickian radial diffusion model. The experimental gas concentrations of the odorant components were measured in a diffusion tube (1D axial diffusion) and quantified using gas chromatography with a flame ionization detector. The numerical solutions were obtained using the general Process Modelling Systems (gPROMS) software version 4.2.0. An equivalence relation between the 1D axial diffusion model and 1D radial diffusion model was developed. Finally, the odour intensity and character of the studied fragrance systems were assessed using Stevens’ power law and the strongest component model, respectively. The obtained results showed good agreement between the numerical simulation and the experimental gas concentration data, suggesting the proposed methodology as an efficient tool to assess the radial diffusion of fragrance systems over time and distance.
KW - Fick's second law
KW - Gas concentration
KW - Odorants
KW - Odour perception
UR - http://www.scopus.com/inward/record.url?scp=85050885181&partnerID=8YFLogxK
U2 - 10.1002/cjce.23253
DO - 10.1002/cjce.23253
M3 - Article
AN - SCOPUS:85050885181
SN - 0008-4034
VL - 97
SP - 351
EP - 360
JO - Canadian Journal of Chemical Engineering
JF - Canadian Journal of Chemical Engineering
IS - 1
ER -