Rapid determination of reaction kinetics with an automated microfluidic system

JP McMullen, KF Jensen - Organic Process Research & …, 2011 - ACS Publications
Kinetic information is used to determine the optimal reaction conditions, to successfully scale
up a reaction from the laboratory to the pilot plant, and to improve process control. Obtaining …

Model-based methods in the biopharmaceutical process lifecycle

P Kroll, A Hofer, S Ulonska, J Kager, C Herwig - Pharmaceutical research, 2017 - Springer
Abstract Model-based methods are increasingly used in all areas of biopharmaceutical
process technology. They can be applied in the field of experimental design, process …

Facts, presumptions, and myths on the solvent-free and catalyst-free Biginelli reaction. What is catalysis for?

HGO Alvim, TB Lima, AL de Oliveira… - The Journal of …, 2014 - ACS Publications
The current manuscript describes the role and importance of catalysis and solvent effects for
the Biginelli multicomponent reaction. The overwhelming number of new catalysts and …

Autonomous kinetic model identification using optimal experimental design and retrospective data analysis: methane complete oxidation as a case study

A Pankajakshan, SG Bawa, A Gavriilidis… - Reaction Chemistry & …, 2023 - pubs.rsc.org
Automation and feedback optimization are combined in a smart laboratory platform for the
purpose of identifying appropriate kinetic models online. In the platform, model-based …

A global optimization method for model selection in chemical reactions networks

R Blanquero, E Carrizosa, A Jiménez-Cordero… - Computers & Chemical …, 2016 - Elsevier
Abstract Model inference is a challenging problem in the analysis of chemical reactions
networks. In order to empirically test which, out of a catalogue of proposed kinetic models, is …

A compilation of the D-optimal designs in chemical kinetics

CP Kitsos, KG Kolovos - Chemical Engineering Communications, 2013 - Taylor & Francis
This paper links the chemical kinetic models that obey the framework of nonlinear statistical
models with optimal design theory. We provide the appropriate optimal designs for them, so …

[HTML][HTML] A joint model-based experimental design approach for the identification of kinetic models in continuous flow laboratory reactors

F Galvanin, E Cao, N Al-Rifai, A Gavriilidis… - Computers & Chemical …, 2016 - Elsevier
Continuous flow laboratory reactors are typically used for the development of kinetic models
for catalytic reactions. Sequential model-based design of experiments (MBDoE) procedures …

Microkinetic analysis of ethanol to 1, 3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations

S Da Ros, MD Jones, D Mattia, M Schwaab… - Chemical Engineering …, 2017 - Elsevier
Microkinetic analysis of ethanol to 1, 3-butadiene reactions over MgO-SiO 2 catalysts was
performed based on the detailed characterization of experimental fluctuations, taking into …

Sequential experimental design based generalised ANOVA

S Chakraborty, R Chowdhury - Journal of Computational Physics, 2016 - Elsevier
Over the last decade, surrogate modelling technique has gained wide popularity in the field
of uncertainty quantification, optimization, model exploration and sensitivity analysis. This …

Optimal design of experiments for parameter identification in electrodialysis models

F Galvanin, R Marchesini, M Barolo, F Bezzo… - … research and design, 2016 - Elsevier
Abstract The Nernst–Planck approach, previously used to model the electrodialytic recovery
of uni-, di or tri-valent electrolytes, was used to accomplish the desalination of concentrated …