Automatic data‐driven stoichiometry identification and kinetic modeling framework for homogeneous organic reactions
Data‐driven and knowledge‐driven methods are two approaches used in studying reaction
kinetics. This article proposes a hybrid‐modeling framework for homogeneous synthesis …
kinetics. This article proposes a hybrid‐modeling framework for homogeneous synthesis …
Identification of reaction rate parameters from uncertain spatially distributed concentration data using gradient-based PDE constrained optimization
S Ito, J Jeßberger, S Simonis, F Bukreev… - … & Mathematics with …, 2024 - Elsevier
A promising approach to quantify reaction rate parameters is to formulate and solve inverse
problems by minimizing the deviation between simulation and measurement. One major …
problems by minimizing the deviation between simulation and measurement. One major …
[HTML][HTML] Improved understanding of reaction kinetic identification problems using different nonlinear optimization algorithms
The correct answer regarding which nonlinear optimization algorithm should we use for a
given problem is that “it depends.” In this paper, we would like to add that “it depends, but …
given problem is that “it depends.” In this paper, we would like to add that “it depends, but …
[PDF][PDF] DOCTORAL (PhD) THESIS
Z TILL - researchgate.net
All kinetic models are uncertain to some extent. Usually that is the case when many
consecutive and competitive reactions occur in the system investigated. In such cases …
consecutive and competitive reactions occur in the system investigated. In such cases …