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Radial diffusion model for fragrance materials: prediction and validation
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  • Rafael Almeida,
  • Alirio Rodrigues,
  • Rubem Vargas,
  • Eduardo Cassel
Rafael Almeida
Pontifical Catholic University of Rio Grande do Sul

Corresponding Author:[email protected]

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Alirio Rodrigues
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Rubem Vargas
Pontifical Catholic University of Rio Grande do Sul
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Eduardo Cassel
Pontificia Universidade Catolica do Rio Grande do Sul
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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.
23 Feb 2021Submitted to AIChE Journal
25 Feb 2021Submission Checks Completed
25 Feb 2021Assigned to Editor
11 Mar 2021Reviewer(s) Assigned
06 Apr 2021Editorial Decision: Revise Minor
29 Apr 20211st Revision Received
03 May 2021Submission Checks Completed
03 May 2021Assigned to Editor
04 May 2021Reviewer(s) Assigned
01 Jun 2021Editorial Decision: Accept