Publications related to Incremental model identification of gas-liquid reaction systems

Identification of reaction and mass-transfer rates in gas-liquid reaction systems

Dominique Bonvin, Michael Amrhein, Nirav Pravinbhai Bhatt

This paper deals with the identification of reaction and mass-transfer rates from concentrations measured in gas-liquid reaction systems. It is assumed that the reactions take place in the liquid bulk only. The identification proceeds in two steps: (i) est ...

IIT-Madras2010

Solar disinfection of viruses: role of carbonate radicals

Qingxia Zhong

Lack of improved drinking water sources contributes a lot to many waterborne diseases caused by pathogens which include viruses, protozoa, bacteria or worms. It is essential to develop and promote treatment methods in order to provide pathogen-free safe dr ...

2010

Extents of Reaction, Mass Transfer and Flow for Gas-Liquid Reaction Systems

Dominique Bonvin, Michael Amrhein, Nirav Pravinbhai Bhatt

For gas-liquid reaction systems with inlet and outlet streams, this paper proposes a linear transformation to decompose the numbers of moles vector into five distinct parts, namely, the extents of reaction, the extents of mass transfer, the extents of inle ...

2010

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

'Glocal' Robustness Analysis and Model Discrimination for Circadian Oscillators

Martin Hasler, Marc Hafner

To characterize the behavior and robustness of cellular circuits with many unknown parameters is a major challenge for systems biology. Its difficulty rises exponentially with the number of circuit components. We here propose a novel analysis method to mee ...

2009

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data: a case study

Julien Léo Billeter, Konrad Hungerbühler

In this case study, we apply a recently developed method to systematically predict the linear dependencies in concentration profiles and identify minimum requirements to enable optimisation of rate constants and pure component spectra via direct multivaria ...

Elsevier2009

Atom-Transfer Radical Addition Reactions Catalyzed by RuCp* Complexes: A Mechanistic Study

Kay Severin, Andrzej Sienkiewicz, Katarzyna Pierzchala, Gregor Kiefer, Katrin Anne Thommes

Kinetic and spectroscopic analyses were performed to gain information about the mechanism of atom-transfer radical reactions catalyzed by the complexes [RuCl2Cp*(PPh3)] and [RuClCp*(PPh3)2] (Cp*=pentamethylcyclopentadienyl), in the presence and in the abse ...

2009

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Albert Renken, Lioubov Kiwi, Martin Grasemann

Systematic studies of mass transfer interactions with intrinsic reaction kinetics were performed for the threephase selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) over a modified Pd/CaC

{O}_{3}

catalyst under solvent ...

2008

Uncertainties in kinetic hard-modelling of multivariate spectroscopic data

Julien Léo Billeter, Konrad Hungerbühler

Kinetic hard-modelling of multivariate spectroscopic data [1, 2] is a well-established method for the determination of reaction mechanisms and associated rate constants. Kinetic hard-modelling relies on a hard model defined by kinetic rate laws and require ...

2008

Online optimisation and detection of process upset in semi-batch reactors using a kinetic modelling approach

Julien Léo Billeter, Konrad Hungerbühler

Process Analytical Chemistry/Technology has tremendously evolved in the last decades due to the development of multivariate online sensors that are able to monitor the properties of industrial processes in real time [1, 2]. Online monitoring of product qua ...

2008

Incremental model identification of gas-liquid reaction systems

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Identification of reaction and mass-transfer rates in gas-liquid reaction systems

Solar disinfection of viruses: role of carbonate radicals

Extents of Reaction, Mass Transfer and Flow for Gas-Liquid Reaction Systems

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

'Glocal' Robustness Analysis and Model Discrimination for Circadian Oscillators

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data: a case study

Atom-Transfer Radical Addition Reactions Catalyzed by RuCp* Complexes: A Mechanistic Study

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Uncertainties in kinetic hard-modelling of multivariate spectroscopic data

Online optimisation and detection of process upset in semi-batch reactors using a kinetic modelling approach

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

Atom-Transfer Radical Addition Reactions Catalyzed by RuCp* Complexes: A Mechanistic Study

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Extents of Reaction, Mass Transfer and Flow for Gas-Liquid Reaction Systems

Identification of reaction and mass-transfer rates in gas-liquid reaction systems

Uncertainties in kinetic hard-modelling of multivariate spectroscopic data

Solar disinfection of viruses: role of carbonate radicals

'Glocal' Robustness Analysis and Model Discrimination for Circadian Oscillators

Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data: a case study

Online optimisation and detection of process upset in semi-batch reactors using a kinetic modelling approach