eprintid: 10193576
rev_number: 8
eprint_status: archive
userid: 699
dir: disk0/10/19/35/76
datestamp: 2024-06-18 08:56:44
lastmod: 2024-08-22 17:16:57
status_changed: 2024-06-18 08:56:44
type: proceedings_section
metadata_visibility: show
sword_depositor: 699
creators_name: Agunloye, Emmanuel
creators_name: Yusuf, Muhammad
creators_name: Chamberlain, Thomas W
creators_name: Muller, Frans L
creators_name: Bourne, Richard A
creators_name: Galvanin, Federico
title: Model-based Design of Experiments for the Identification of Kinetic Models of Amide Formation
ispublished: pub
divisions: UCL
divisions: B04
divisions: C05
divisions: F43
keywords: Amide formation, Latin-hypercube sampling, kinetic models, model-based design of experiment, robust model-based design of experiment
note: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
abstract: Model-based design of experiments (MBDoE) techniques have been applied to various process systems in the scientific community to optimally determine a minimum number of informative experiments to enable identification of a kinetic model structure with precisely determined parameters. The effectiveness of MBDoE techniques is however deeply affected by parametric uncertainty. To evaluate the effect of parametric uncertainty on model effectiveness, this work compares and evaluates two different MBDoE approaches: 1) LHS-MBDoE, where the Latin-hypercube sampling (LHS) precedes MBDoE application; and 2) robust MBDoE, where MBDoE techniques apply ab-initio via either the expected value or worst-case approach. Using experimental and in-silico data, MBDoE methodologies were tested on a pharmaceutically relevant reaction system involving homogeneous amide formation, which can be described using reversible chemical kinetics. The performances of the two MBDoE approaches were assessed using i) the
date: 2024-06-03
date_type: published
publisher: Elsevier
official_url: http://doi.org/10.1016/B978-0-443-28824-1.50065-X
full_text_type: other
language: eng
verified: verified_manual
elements_id: 2287030
doi: 10.1016/B978-0-443-28824-1.50065-X
lyricists_name: Agunloye, Emmanuel
lyricists_id: AGUNL18
actors_name: Agunloye, Emmanuel
actors_id: AGUNL18
actors_role: owner
full_text_status: restricted
pres_type: paper
place_of_pub: Amsterdam, Netherlands
event_title: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering (ESCAPE34/PSE24)
event_location: Florence, Italy
event_dates: 2 Jun 2024 - 6 Jun 2024
issn: 1570-7946
book_title: 34th European Symposium on Computer Aided Process Engineering /15th International Symposium on Process Systems Engineering ESCAPE-34/PSE2024
citation:        Agunloye, Emmanuel;    Yusuf, Muhammad;    Chamberlain, Thomas W;    Muller, Frans L;    Bourne, Richard A;    Galvanin, Federico;      (2024)    Model-based Design of Experiments for the Identification of Kinetic Models of Amide Formation.                     In:  34th European Symposium on Computer Aided Process Engineering /15th International Symposium on Process Systems Engineering ESCAPE-34/PSE2024.    Elsevier: Amsterdam, Netherlands.      
 
document_url: https://discovery.ucl.ac.uk/id/eprint/10193576/1/298Agunloye.pdf