Publications by Diogo Filipe Mateus Rodrigues

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

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

PERGAMON-ELSEVIER SCIENCE LTD2020

On reducing the number of decision variables for dynamic optimization

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

This paper presents an input parameterization for dynamic optimization that allows reducing the number of decision variables compared to traditional direct methods. A small number of decision variables is likely to be beneficial for various applications su ...

2020

Maximum-likelihood estimation of kinetic parameters via the extent-based incremental approach

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

For lumped homogeneous reaction systems, this paper presents a kinetic model identification scheme that provides maximum-likelihood parameter estimates and guarantees convergence to global optimality. The use of the extent-based incremental approach allows ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Dynamic Optimization of Reaction Systems via Exact Parsimonious Input Parameterization

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

This paper discusses the use of parsimonious input parameterization for the dynamic optimization of reaction systems. This parameterization is able to represent the optimal inputs with only a few parameters. In the context of batch, semibatch, and continuo ...

AMER CHEMICAL SOC2019

On decoupling rate processes in chemical reaction systems - Methods and applications

Michael Amrhein, Dominique Bonvin, Julien Léo Billeter, 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 ...

2018

Fast Estimation of Plant Steady State for Imperfectly Known Dynamic Systems, with Application to Real-Time Optimization

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

2018

Concept of Variants and Invariants for Reaction Systems, with Application to Estimation, Control and Optimization

Diogo Filipe Mateus Rodrigues

The concept of reaction variants and invariants for lumped reaction systems has been known for several decades. Its applications encompass model identification, data reconciliation, state estimation and control using kinetic models. In this thesis, the con ...

EPFL2018

Concept and Applications of Extents in Chemical Reaction Systems

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

Models of chemical reaction systems can be quite complex as they typically include information regarding the reactions, the various transfers of heat and mass, as well as the effects of the inlet and outlet flows. It is well known that a linear transformat ...

2017

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

Optimal Control Laws for Batch and Semi-batch Reactors Using the Concept of Extents

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

2017

Generalization of the Concept of Extents to Distributed Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

In the chemical industry, a large class of processes involving reactions can be described by partial differential equations that depend on time and on one or more spatial coordinates. Examples of such distributed reaction systems are tubular reactors and r ...

Elsevier2017

Generalized Incremental Model Identification for Chemical Reaction Systems

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

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

Semi-analytical Solutions for Tubular Chemical Reactors

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

The one-dimensional tubular reactor model with advection and possibly axial diffusion is the classical model of distributed chemical reaction systems. This system is described by partial differential equations that depend on the time t and the spati ...

Elsevier2017

Linking Models and Experiments

Dominique Bonvin, Diogo Filipe Mateus Rodrigues, René Uwe Schneider

This position paper gives an overview of the discussion that took place at FIPSE 2 at Aldemar Resort, east of Heraklion, Crete, in June 21-23, 2014. This is the second conference in the series "Future Innovation in Process Systems Engineering" (http://fi-i ...

Amer Chemical Soc2016

Fast Estimation of Plant Steady State, with Application to Static RTO

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

Experimental assessment or prediction of plant steady state is important for many applications in the area of modeling and operation of continuous processes. For example, the iterative implementation of static real-time optimization requires reaching stead ...

2016

Control of Reaction Systems via Rate Estimation and Feedback Linearization

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

Abstract of the conference paper The kinetic identification of chemical reaction systems often represents a time-consuming and complex task. This contribution presents an approach that uses rate estimation and feedback linearization to implement ...

Elsevier2015

Variant and Invariant States for Chemical Reaction Systems

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

Models of open non-isothermal heterogeneous reaction systems can be quite complex as they include information regarding the reactions, the inlet and outlet flows, the transfer of species between phases and the transfer of energy. This paper builds on the c ...

Elsevier2015

Incremental Model Identification in Distributed Two-phase Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

Transformation to variant and invariant states, called extents, is used to decouple the dynamic effects of reaction systems and serves as basis for incremental model identification, in which kinetic models are identified individually for each dynamic effec ...

IFAC2015

Extent-based Model Identification of Surface Catalytic Reaction Systems

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

Identification of kinetic models and estimation of reaction and mass-transfer parameters is an important task for monitoring, control and optimization of industrial processes. A methodology called Extent-based Model Identification has been developed to sep ...

2014