Open data in catalysis: From today's big picture to the future of small data

PSF Mendes, S Siradze, L Pirro, JW Thybaut - ChemCatChem, 2021‏ - Wiley Online Library
Open science and data are yet to make a real breakthrough and research policies will have
a critical role in it. The history and general context around open data is hence firstly …

Chromatography analysis and design toolkit (CADET)

S Leweke, E von Lieres - Computers & Chemical Engineering, 2018‏ - Elsevier
CADET is an open source modeling and simulation framework for column liquid
chromatography. The software is freely distributed to both academia and industry under the …

[HTML][HTML] Sequential optimal experimental design for vapor-liquid equilibrium modeling

M Bubel, J Schmid, V Kozachynskyi, E Esche… - Chemical Engineering …, 2024‏ - Elsevier
We propose a general methodology of sequential locally optimal design of experiments for
explicit or implicit nonlinear models, as they abound in chemical engineering and, in …

An autonomous microreactor platform for the rapid identification of kinetic models

C Waldron, A Pankajakshan, M Quaglio… - Reaction Chemistry & …, 2019‏ - pubs.rsc.org
An autonomous flow microreactor platform was developed that was able to conduct reaction
experiments and measure the outlet reactant and product concentrations using HPLC …

Nonlinear ill-posed problem analysis in model-based parameter estimation and experimental design

T Barz, S Körkel, G Wozny - Computers & Chemical Engineering, 2015‏ - Elsevier
Discrete ill-posed problems are often encountered in engineering applications. Still, their
sound analysis is not yet common practice and difficulties arising in the determination of …

Automated kinetic model identification via cloud services using model-based design of experiments

E Agunloye, P Petsagkourakis, M Yusuf… - Reaction Chemistry & …, 2024‏ - pubs.rsc.org
Industry 4.0 has birthed a new era for the chemical manufacturing sector, transforming
reactor design and integrating digital twin into process control. To bridge the gap between …

[کتاب][B] Continuous biomanufacturing: innovative technologies and methods

G Subramanian - 2017‏ - books.google.com
This is the most comprehensive treatise of this topic available, providing invaluable
information on the technological and economic benefits to be gained from implementing …

Optimal design of experiments for optimization-based model calibration using Fisher information matrix

Y Jung, I Lee - Reliability Engineering & System Safety, 2021‏ - Elsevier
Statistical model calibration to infer unknown model parameters and model bias has been
widely developed through comparison between simulation response and experimental data …

An automated computational approach to kinetic model discrimination and parameter estimation

CJ Taylor, H Seki, FM Dannheim, MJ Willis… - Reaction Chemistry & …, 2021‏ - pubs.rsc.org
We herein report experimental applications of a novel, automated computational approach
to chemical reaction network (CRN) identification. This report shows the first chemical …

[HTML][HTML] Model-based design of optimal experiments for nonlinear systems in the context of guaranteed parameter estimation

ARG Mukkula, R Paulen - Computers & Chemical Engineering, 2017‏ - Elsevier
An approach to the design of experiments is presented in the framework of bounded-error
(guaranteed) parameter estimation for nonlinear static and dynamic systems. The …