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

Accelerating path integral evaluation of equilibrium and kinetic isotope effects

Investigating the effect of isotope substitution on equilibrium and kinetic properties of molecules has become an important tool for estimating the importance of nuclear quantum effects. In this work, we discuss calculating both equilibrium and kinetic iso ...

EPFL2018

Convergence analysis of Padé approximations for Helmholtz frequency response problems

Fabio Nobile, Francesca Bonizzoni

The present work concerns the approximation of the solution map

S

associated to the parametric Helmholtz boundary value problem, i.e., the map which associates to each (real) wavenumber belonging to a given interval of interest the corresponding solution ...

2018

Orientation-Dispersed Apparent Axon Diameter via Multi-Stage Spherical Mean Optimization

Jean-Philippe Thiran, Marco Pizzolato

The estimation of the apparent axon diameter (AAD) via diffusion MRI is affected by the incoherent alignment of single axons around its axon bundle direction, also known as orientational dispersion. The simultaneous estimation of AAD and dispersion is chal ...

SPRINGER-VERLAG BERLIN2018

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

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 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

Delineating the Mechanism of Ionic Liquids in the Synthesis of Quinazoline-2,4(1H,3H)-dione from 2-Aminobenzonitrile and CO2

Paul Joseph Dyson, Gabor Laurenczy, Martin Hulla, Shoubhik Das, Sami Manoubi Armand Chamam

Ionic liquids (ILs) are versatile solvents and catalysts for the synthesis of quinazoline-2,4-dione from 2-aminobenzonitrile and CO2. However, the role of the IL in this reaction is poorly understood. Consequently, we investigated this reaction and showed ...

Wiley-Blackwell2017

On Decoupling Rate Processes in Chemical Reaction Systems - Methods and Applications

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

Models of chemical reaction systems can be complex as they need to include information regarding the reactions and the mass and heat transfers. The commonly used state variables, namely, concentrations and temperatures, express the interplay between many p ...

Elsevier2017

Constrained multi-rate state estimator incorporating delayed measurements

Dominique Bonvin, Michael Amrhein, Sriniketh Srinivasan

Frequent and accurate concentration estimates are important for the on-line control and optimization of chemical reaction systems. Such estimates can be obtained using state estimation methods that fuse frequent (fast) delay-free on-line measurements with ...

IEEE2017

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

Graph Chatbot

Chat with Graph Search

Accelerating path integral evaluation of equilibrium and kinetic isotope effects

Convergence analysis of Padé approximations for Helmholtz frequency response problems

Orientation-Dispersed Apparent Axon Diameter via Multi-Stage Spherical Mean Optimization

Incremental Model Identification of Reaction Systems

Generalized Incremental Model Identification for Chemical Reaction Systems

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

On Decoupling Chemical Reaction Systems

Delineating the Mechanism of Ionic Liquids in the Synthesis of Quinazoline-2,4(1H,3H)-dione from 2-Aminobenzonitrile and CO2

On Decoupling Rate Processes in Chemical Reaction Systems - Methods and Applications

Constrained multi-rate state estimator incorporating delayed measurements

Orientation-Dispersed Apparent Axon Diameter via Multi-Stage Spherical Mean Optimization

Generalized Incremental Model Identification for Chemical Reaction Systems

Accelerating path integral evaluation of equilibrium and kinetic isotope effects

Convergence analysis of Padé approximations for Helmholtz frequency response problems

Incremental Model Identification of Reaction Systems

Delineating the Mechanism of Ionic Liquids in the Synthesis of Quinazoline-2,4(1H,3H)-dione from 2-Aminobenzonitrile and CO2

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

On Decoupling Rate Processes in Chemical Reaction Systems - Methods and Applications

Constrained multi-rate state estimator incorporating delayed measurements

On Decoupling Chemical Reaction Systems