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Effects of uncertainties in experimental conditions on the estimation of adsorption model parameters in preparative chromatography

Borg, Niklas LU ; Westerberg, Karin LU ; Andersson, Niklas LU orcid ; von Lieres, Eric and Nilsson, Bernt LU (2013) In Computers & Chemical Engineering 55. p.148-157
Abstract
Model-based process design is increasingly popular when designing pharmaceutical purification processes. The effect of uncertainties in concentration measurements on the estimation of model parameters is analyzed for two cases of non-isocratic adsorption chromatography. A model, calibrated to experiments, is used to generate data by adding a Monte Carlo sampled error in the inlet concentrations. New model parameters are estimated by minimizing the deviation between the synthetic data and the model. The first case is a separation of rare earth elements by ion-exchange chromatography and the second case is a purification of insulin from a product-related impurity by reversed-phase chromatography. It is shown that normally distributed errors... (More)
Model-based process design is increasingly popular when designing pharmaceutical purification processes. The effect of uncertainties in concentration measurements on the estimation of model parameters is analyzed for two cases of non-isocratic adsorption chromatography. A model, calibrated to experiments, is used to generate data by adding a Monte Carlo sampled error in the inlet concentrations. New model parameters are estimated by minimizing the deviation between the synthetic data and the model. The first case is a separation of rare earth elements by ion-exchange chromatography and the second case is a purification of insulin from a product-related impurity by reversed-phase chromatography. It is shown that normally distributed errors in the concentrations result in deviations in the UV-signal that are not normally distributed. With the applied method, known concentration distributions can be translated into probability distributions of the model parameters, which can be taken into account in the model-based process design. (C) 2013 Elsevier Ltd. All rights reserved. (Less)
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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Modeling Ion-exchange chromatography, Reversed-phase chromatography, Model calibration, Parameter estimation, Parameter uncertainty
in
Computers & Chemical Engineering
volume
55
pages
148 - 157
publisher
Elsevier
external identifiers
  • wos:000320650300013
  • scopus:84878469802
ISSN
1873-4375
DOI
10.1016/j.compchemeng.2013.04.013
language
English
LU publication?
yes
id
ef8e63f3-95a5-490a-a7a4-2c56de6c290c (old id 3980006)
date added to LUP
2016-04-01 14:40:56
date last changed
2023-11-13 10:57:15
@article{ef8e63f3-95a5-490a-a7a4-2c56de6c290c,
  abstract     = {{Model-based process design is increasingly popular when designing pharmaceutical purification processes. The effect of uncertainties in concentration measurements on the estimation of model parameters is analyzed for two cases of non-isocratic adsorption chromatography. A model, calibrated to experiments, is used to generate data by adding a Monte Carlo sampled error in the inlet concentrations. New model parameters are estimated by minimizing the deviation between the synthetic data and the model. The first case is a separation of rare earth elements by ion-exchange chromatography and the second case is a purification of insulin from a product-related impurity by reversed-phase chromatography. It is shown that normally distributed errors in the concentrations result in deviations in the UV-signal that are not normally distributed. With the applied method, known concentration distributions can be translated into probability distributions of the model parameters, which can be taken into account in the model-based process design. (C) 2013 Elsevier Ltd. All rights reserved.}},
  author       = {{Borg, Niklas and Westerberg, Karin and Andersson, Niklas and von Lieres, Eric and Nilsson, Bernt}},
  issn         = {{1873-4375}},
  keywords     = {{Modeling Ion-exchange chromatography; Reversed-phase chromatography; Model calibration; Parameter estimation; Parameter uncertainty}},
  language     = {{eng}},
  pages        = {{148--157}},
  publisher    = {{Elsevier}},
  series       = {{Computers & Chemical Engineering}},
  title        = {{Effects of uncertainties in experimental conditions on the estimation of adsorption model parameters in preparative chromatography}},
  url          = {{http://dx.doi.org/10.1016/j.compchemeng.2013.04.013}},
  doi          = {{10.1016/j.compchemeng.2013.04.013}},
  volume       = {{55}},
  year         = {{2013}},
}