Integrated uncertainty quanti cation and sensitivity analysis of single-component dynamic column breakthrough experiments
File(s)Ward-Pini2022_Article_IntegratedUncertaintyQuantific.pdf (3.15 MB)
Published version
Author(s)
Ward, Adam
Pini, Ronny
Type
Journal Article
Abstract
We have carried out the traditional analysis of a set of dynamic breakthrough experiments on the CO2/He system adsorbing onto activated carbon by fitting a 1D dynamic column breakthrough model to the transient experimental profiles. We have quantified the uncertainties in the fitted model parameters using the techniques of Bayesian inference, and have propagated these parametric uncertainties through the dynamic model to assess the robustness of the modelling. We have found significant uncertainties in the outlet mole fraction profile, internal temperature profile and internal adsorption profiles of approximately ±15%. To assess routes to reduce these uncertainties we have applied a global variance-based sensitivity analysis to the dynamic model using the Sobol method. We have found that approximately 70% of the observed variability in the modelling outputs can be attributed to uncertainties in the adsorption isotherm parameters that describe its temperature dependence. We also make various recommendations for practitioners, using the developed Bayesian statistical tools, regarding the choice of the isotherm model, the choice of the fitting data for the extraction of system specific parameters and the simplification of the wall energy balance.
Date Issued
2022-05-14
Date Acceptance
2022-04-24
Citation
Adsorption, 2022, 28, pp.161-183
ISSN
0929-5607
Publisher
Springer
Start Page
161
End Page
183
Journal / Book Title
Adsorption
Volume
28
Copyright Statement
© The Author(s) 2022. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
License URL
Identifier
https://link.springer.com/article/10.1007/s10450-022-00361-z
Subjects
Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Engineering, Chemical
Chemistry
Engineering
Adsorption
Dynamic column breakthrough
Uncertainty quantification
Sensitivity analysis
Bayesian inference
Sobol indices
ACTIVATED CARBON
CO2 ADSORPTION
CAPTURE
DESIGN
Chemical Physics
0904 Chemical Engineering
0912 Materials Engineering
Publication Status
Published
Date Publish Online
2022-05-14