RT info:eu-repo/semantics/article
T1 A computational approach to partial least squares model inversion in the framework of the process analytical technology and quality by design initiatives
A1 Ruiz Miguel, Santiago
A1 Ortiz Fernández, Mª Cruz
A1 Sarabia Peinador, Luis Antonio
A1 Sánchez Pastor, Mª Sagrario
K1 Process analytical technology
K1 Quality by design
K1 Partial least squares
K1 Pareto optimality
K1 Process decision making
K1 Industrial processes
K1 Química analítica
K1 Chemistry, Analytic
AB In the context of the paradigms founding the Quality by Design and Process Analytical Technology initiatives, the work herein presents a computational approach to support the decision-making process, in particular, about the feasibility of a product defined for some a priori given quality characteristics.The approach is based on the computation of the pareto-optimal front when simultaneously minimizing the expected differences between the predicted and the desired characteristics. Thus, the feasibility is tackled as an optimization problem with the novelty of doing so simultaneously for all the characteristics, preserving the correlation structure, but by separately handling each individual characteristic.With data from a low-density polyethylene production process, with fourteen process variables and five measured characteristics of the final polyethylene, solutions are found to define the Design Space for targeted quality characteristics on the product, and without the need of explicitly inverting the PLS (Partial Least Squares) prediction model fitted to the process.
PB Elsevier
SN 0169-7439
YR 2018
FD 2018-11
LK http://hdl.handle.net/10259/4973
UL http://hdl.handle.net/10259/4973
LA eng
NO Junta de Castilla y León (BU012P17), and also Spanish MINECO and Agencia Estatal de Investigación under research projects CTQ2014-53157-R, and CTQ2017-88894-R
DS Repositorio Institucional de la Universidad de Burgos
RD 26-abr-2024