Publications related to Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Effect of hot spots in microstructured reactors on product distribution during quasi-instantaneous exothermic reactions

Albert Renken, John Richard Thome, Lioubov Kiwi, Thomas Maeder, Navid Borhani, Bo Jiang, Julien Haber

Background. The small characteristic sizes (in the range of 102 - 103 μm) of Microstructured reactors (MSR) lead to very high specific interfacial area which, in turn, increases heat- and mass transfer efficiency. However, for quasi instantaneous exothermi ...

2013

Incremental model identification of gas-liquid reaction systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Identification of kinetic models is an important task for monitoring, control and optimization of industrial processes. Kinetic models are often based on first principles, which describe the evolution of the states – numbers of moles, temperature and volum ...

2013

Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan, Nirav Pravinbhai Bhatt

Extent-based Incremental Model Identification (IMI) uses the concept of extent of reaction and the integral method of parameter estimation to identify reaction kinetics from transient concentration measurements. This study proposes to incorporate calorimet ...

Elsevier2012

Kinetic and thermodynamic study of the aqueous Kolbe–Schmitt synthesis of beta-resorcylic acid

Albert Renken, Lioubov Kiwi, Charline Berguerand, Anne-Laure Dessimoz

Detailed thermodynamic and kinetic study of the aqueous Kolbe-Schmitt synthesis of beta-resorcylic acid has been carried out in a laboratory-scale batch reactor operated under ambient pressure. The dependence of the conversion on partial pressure of carbon ...

Elsevier2012

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

The identification of kinetic models is an essential step for the monitoring, control and optimization of industrial processes. This is particularly true for the chemical and pharmaceutical industries, where the current trend of strong competition calls fo ...

2012

Incremental model identification for homogeneous systems – A comparison

Dominique Bonvin, Michael Amrhein, Nirav Pravinbhai Bhatt

The identification of reaction kinetics involves the determination of a model structure (reaction stoichiometry, rate laws for all reactions) and its corresponding parameters from experimental data. An incremental identification approach for determining th ...

2011

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

Jiri Vanicek, Marcin Rafal Buchowiecki

A general method for the direct evaluation of the temperature dependence of the quantum-mechanical reaction rate constant in many-dimensional systems is described. The method is based on the quantum instanton approximation for the rate constant, thermodyna ...

American Institute of Physics2010

Extents of reaction and flow for homogeneous reaction systems with inlet and outlet streams

Dominique Bonvin, Michael Amrhein, Nirav Pravinbhai Bhatt

This paper proposes two transformations for homogeneous reaction systems with inlet and outlet streams that allow isolating three distinct parts of the state vector, namely, the reaction variants, the reaction invariants but inlet- ﬂow variants, and the re ...

Wiley-Blackwell2010

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data

Julien Léo Billeter, Konrad Hungerbühler

In recent years, chemometric methods for the analysis of multivariate kinetic data have considerably progressed. Kinetic hard-modelling is one of these methods that is based on the rate law and used to determine the kinetic parameters (e.g. rate constants) ...

2009

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Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Effect of hot spots in microstructured reactors on product distribution during quasi-instantaneous exothermic reactions

Incremental model identification of gas-liquid reaction systems

Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Kinetic and thermodynamic study of the aqueous Kolbe–Schmitt synthesis of beta-resorcylic acid

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Extents of Reaction and Mass Transfer in the Analysis of Chemical Reaction Systems

Incremental model identification for homogeneous systems – A comparison

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

Extents of reaction and flow for homogeneous reaction systems with inlet and outlet streams

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data

Graph Chatbot

Chat with Graph Search

Effect of hot spots in microstructured reactors on product distribution during quasi-instantaneous exothermic reactions

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Extents of Reaction and Mass Transfer in the Analysis of Chemical Reaction Systems

Incremental model identification of gas-liquid reaction systems

Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Kinetic and thermodynamic study of the aqueous Kolbe–Schmitt synthesis of beta-resorcylic acid

Incremental model identification for homogeneous systems – A comparison

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data

Extents of reaction and flow for homogeneous reaction systems with inlet and outlet streams