Abstract
A predictive model based on Fick’s second law for radial diffusion is
proposed and validated for modeling the diffusion of fragrances. A pure
component, two binary systems, and a ternary system were used for
validation. The model combines the prediction model to represent the
liquid phase non-idealities, using the UNIFAC group contribution method,
with the Fickian radial diffusion approach. The experimental headspace
concentrations were measured in a diffusion chamber using the
solid-phase microextraction (SPME) technique and quantified using gas
chromatography with a flame ionization detector (GC-FID). The numerical
solutions were obtained along with an analytical model considering
constant surface concentration. The odor intensities of the studied
systems were calculated using Stevens’ power law and the strongest
component model, respectively. The numerical simulation presented good
adherence to the experimental gas concentration data. The proposed
methodology is an efficient and validated tool to assess the radial
diffusion of fragrance and volatile systems.