Publications related to Extent-based Kinetic Identification using Spectroscopic Measurements and Multivariate Calibration

TiCl3-Mediated Synthesis of 2,3,3-Trisubstituted Indolenines: Total Synthesis of (+)-1,2-Dehydroaspidospermidine, (+)-Condyfoline, and (-)-Tubifoline

Qian Wang, Jieping Zhu, Cyril Piemontesi, Bastien Delayre

2,3,3-Trisubstituted indolenine constitutes an integral part of many biologically important monoterpene indole alkaloids. We report herein an unprecedented access to this skeleton by a TiCl3-mediated reductive cyclization of tetrasubstituted alkenes bearin ...

WILEY-V C H VERLAG GMBH2020

Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

Robin Tobias Andreas Mutschler

The aim of this thesis is to contribute to the development of analysis methods that enable an improved investigation of the CO2 hydrogenation reaction such as quantitative mass spectrometry and infrared thermography. Furthermore, the contribution is in the ...

EPFL2019

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Modeling chemical reaction systems is an important but complex task. The identified kinetic model must be able to explain all the underlying rate processes such as chemical reactions and heat and mass transfers. Traditionally, the modeling task is carried ...

2019

Fast real time and quantitative gas analysis method for the investigation of the CO2 reduction reaction mechanism

Andreas Züttel, Emanuele Moioli, Wen Luo, Robin Tobias Andreas Mutschler

We present a new fast real time and quantitative gas analysis method by means of mass spectrometry (MS), which has approximately an order of magnitude faster sampling rate in comparison with a traditional gas chromatography. The method is presented and dis ...

AMER INST PHYSICS2018

Global Identification of Kinetic Parameters via the Extent-based Incremental Approach

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

The identification of reaction kinetics represents the main challenge in building models for reaction systems. The identification task can be performed via either simultaneous model identification (SMI) or incremental model identification (IMI), the latter ...

2017

Incremental Model Identification of Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Michael Amrhein, Sriniketh Srinivasan, Diogo Filipe Mateus Rodrigues, Nirav Pravinbhai Bhatt

The identification of reaction kinetics represents the main challenge in building models for reaction systems. The identification task can be performed via either simultaneous model identification (SMI) or incremental model identification (IMI), the latter ...

2017

On Decoupling Chemical Reaction Systems

Sriniketh Srinivasan

Chemical reaction systems act as the basis to get the desired products from raw materials. An in-depth understanding of all the underlying rate processes is necessary for monitoring, control and optimization of chemical reaction systems. Traditional repres ...

EPFL2017

Generalized Incremental Model Identification for Chemical Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues, Adrien Oulevey

Identification of kinetic models and estimation of kinetic parameters in chemical reaction systems can be done using Incremental Model Identification (IMI). By using IMI, it is possible to separate the effect of the different reactions and thus investigate ...

2017

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

Dominique Bonvin, Julien Léo Billeter

The identification of kinetic models is an important step for the monitoring, control and optimization of chemical processes. Kinetic models are often based on first principles that describe the evolution of concentrations by means of conservation and cons ...

2017

On the use of shape constraints for state estimation in reaction systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

State estimation techniques are used for improving the quality of measured signals and for reconstructing unmeasured quantities. In chemical reaction systems, nonlinear estimators are often used to improve the quality of estimated concentrations. These non ...

Elsevier Science Bv2016

Extent-based Kinetic Identification using Spectroscopic Measurements and Multivariate Calibration

TiCl3-Mediated Synthesis of 2,3,3-Trisubstituted Indolenines: Total Synthesis of (+)-1,2-Dehydroaspidospermidine, (+)-Condyfoline, and (-)-Tubifoline

Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Fast real time and quantitative gas analysis method for the investigation of the CO2 reduction reaction mechanism

Global Identification of Kinetic Parameters via the Extent-based Incremental Approach

Incremental Model Identification of Reaction Systems

On Decoupling Chemical Reaction Systems

Generalized Incremental Model Identification for Chemical Reaction Systems

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

On the use of shape constraints for state estimation in reaction systems

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Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

TiCl3-Mediated Synthesis of 2,3,3-Trisubstituted Indolenines: Total Synthesis of (+)-1,2-Dehydroaspidospermidine, (+)-Condyfoline, and (-)-Tubifoline

Fast real time and quantitative gas analysis method for the investigation of the CO2 reduction reaction mechanism

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Global Identification of Kinetic Parameters via the Extent-based Incremental Approach

On Decoupling Chemical Reaction Systems

Incremental Model Identification of Reaction Systems

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

On the use of shape constraints for state estimation in reaction systems

Generalized Incremental Model Identification for Chemical Reaction Systems