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Method development in inverse modeling applied to supercritical fluid extraction of lipids

Abrahamsson, Victor LU ; Andersson, Niklas LU ; Nilsson, Bernt LU and Turner, Charlotta LU (2016) In Journal of Supercritical Fluids 111. p.14-27
Abstract

Modeling of the supercritical fluid extraction of solid materials is an important aspect in order to understand and predict the process. A comparison of two empirical models, two semi-empirical models and two mechanistic models is performed using calibration of single experiments. It is concluded that the best fit is obtained using a simple empirical expression. Furthermore, single calibrations did not generate reliable parameters with physical meaning and a methodology is proposed for inverse modeling with complete calibration using several experiments. The experimental dataset contained 29 extractions of lipids from crushed linseeds with varying temperatures, pressures and flow rates. A general rate model and a proposed extension of... (More)

Modeling of the supercritical fluid extraction of solid materials is an important aspect in order to understand and predict the process. A comparison of two empirical models, two semi-empirical models and two mechanistic models is performed using calibration of single experiments. It is concluded that the best fit is obtained using a simple empirical expression. Furthermore, single calibrations did not generate reliable parameters with physical meaning and a methodology is proposed for inverse modeling with complete calibration using several experiments. The experimental dataset contained 29 extractions of lipids from crushed linseeds with varying temperatures, pressures and flow rates. A general rate model and a proposed extension of the hot ball model were evaluated for this purpose. The methodology includes data acquisition, model structure estimation, model calibration and a cross-validation. In general, it was found that the solubility model of Sovová outperformed the other evaluated correlations, and for the general rate model the Toth partition isotherm was also found in the top model structures. However, no generalization could be made regarding the correlations describing the Nernst diffusion layer and diffusivity.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Inverse modeling, Kinetics, Partition isotherma, SFE
in
Journal of Supercritical Fluids
volume
111
pages
14 pages
publisher
Elsevier
external identifiers
  • Scopus:84955482910
  • WOS:000372680600003
ISSN
0896-8446
DOI
10.1016/j.supflu.2016.01.006
language
English
LU publication?
yes
id
240a4003-64d5-4103-8bff-ffee6db4440a
date added to LUP
2016-05-10 12:27:43
date last changed
2016-05-19 15:34:51
@misc{240a4003-64d5-4103-8bff-ffee6db4440a,
  abstract     = {<p>Modeling of the supercritical fluid extraction of solid materials is an important aspect in order to understand and predict the process. A comparison of two empirical models, two semi-empirical models and two mechanistic models is performed using calibration of single experiments. It is concluded that the best fit is obtained using a simple empirical expression. Furthermore, single calibrations did not generate reliable parameters with physical meaning and a methodology is proposed for inverse modeling with complete calibration using several experiments. The experimental dataset contained 29 extractions of lipids from crushed linseeds with varying temperatures, pressures and flow rates. A general rate model and a proposed extension of the hot ball model were evaluated for this purpose. The methodology includes data acquisition, model structure estimation, model calibration and a cross-validation. In general, it was found that the solubility model of Sovová outperformed the other evaluated correlations, and for the general rate model the Toth partition isotherm was also found in the top model structures. However, no generalization could be made regarding the correlations describing the Nernst diffusion layer and diffusivity.</p>},
  author       = {Abrahamsson, Victor and Andersson, Niklas and Nilsson, Bernt and Turner, Charlotta},
  issn         = {0896-8446},
  keyword      = {Inverse modeling,Kinetics,Partition isotherma,SFE},
  language     = {eng},
  month        = {05},
  pages        = {14--27},
  publisher    = {ARRAY(0x78ea868)},
  series       = {Journal of Supercritical Fluids},
  title        = {Method development in inverse modeling applied to supercritical fluid extraction of lipids},
  url          = {http://dx.doi.org/10.1016/j.supflu.2016.01.006},
  volume       = {111},
  year         = {2016},
}