Concept and Applications of Extents in Chemical Reaction Systems

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 transformation involving the reaction stoichiometry allows artitioning the state space into a reaction invariant subspace and its complement. Alternative transformations have been proposed to partition the state space into various subspaces that are linked to the reactions, the heat and mass transfers, the inlets, and the initial conditions. This paper analyzes this partitioning of the state space, which helps isolate the effects of the various rate processes. The implications of this partitioning are discussed with respect to several modeling and estimation applications.

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Dominique Bonvin, Julien Léo Billeter, Michael Amrhein, Sriniketh Srinivasan, Diogo Filipe Mateus Rodrigues
2017
Conference paper

Abstract

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https://infoscience.epfl.ch/record/221374?ln=en

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Related concepts (3)

Chemical reaction

A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur.

Mass transfer

Mass transfer is the net movement of mass from one location (usually meaning stream, phase, fraction or component) to another. Mass transfer occurs in many processes, such as absorption, evaporation, drying, precipitation, membrane filtration, and distillation. Mass transfer is used by different scientific disciplines for different processes and mechanisms. The phrase is commonly used in engineering for physical processes that involve diffusive and convective transport of chemical species within physical systems.

Chemical reaction engineering

Chemical reaction engineering (reaction engineering or reactor engineering) is a specialty in chemical engineering or industrial chemistry dealing with chemical reactors. Frequently the term relates specifically to catalytic reaction systems where either a homogeneous or heterogeneous catalyst is present in the reactor. Sometimes a reactor per se is not present by itself, but rather is integrated into a process, for example in reactive separations vessels, retorts, certain fuel cells, and photocatalytic surfaces.