Développement d'une méthodologie de la «modélisation compartimentale» des systèmes en écoulement avec ou sans réaction chimique à partir d'expériences de traçage et de simulations de mécanique des fluides numérique

Abstract : This PhD deals with modelling of chemical reactors with the “compartmental modelling” approach, which consists in dividing the system into a network from a dozen to several hundreds of interconnected volumes, called compartments. The structure of the network is deduced from tracer experiments, technical information about the chemical reactor and computational fluid dynamics flow simulations. This method provides a good compromise between computation time and results accuracy. When they are properly set-up, compartmental models give similar predictions, in terms of chemical reactions, as those of CFD simulations with a shorter calculation time and a more concrete representation of the reactor behavior. Every study from the literature is devoted to a specific reactor with a particular approach that cannot be straightforwardly transposed to other reactors. The aim of this PhD is to provide a contribution to the development of the most general possible methodology and to develop an automatic tool of generation and resolution of the differential equations system which must be solved. In the first chapter, a state of the art is proposed, defining the field of application of our method, in order to identify the most relevant division methods and the different methods to calculate the exchange between compartments. In the second chapter, a general methodology for compartmental modelling is developed. A versatile approach is proposed, consisting in dividing the reactor in identical slices. The calculation of exchange between compartments, both due to convection and turbulence, is presented in detail, with the description of three calculation methods for turbulent exchange. An interface has been developed, allowing to build any network of compartments. From this interface, the equations are written and solved automatically. The methodology is applied in the third chapter to an unfavorable case for slice cutting. This has allowed to test the limit of this approach. In particular, two points have been studied: (1) the applicability of division into identical slices and (2) the comparison between the turbulent exchange calculation methods. The first test has proved the robustness of the division approach but the second test has not allowed to establish whether one calculation method is better than another. Finally, the methodology has been promoted and transferred by implementing the developed algorithms within a commercial software. This software allows to simulate the dispersion of reactive and non-reactive (tracers) species, in model containing hundreds of compartments organized in identical slices
Complete list of metadatas

https://hal.univ-lorraine.fr/tel-01909341
Contributor : Thèses Ul <>
Submitted on : Wednesday, December 5, 2018 - 9:47:19 AM
Last modification on : Wednesday, December 5, 2018 - 10:06:33 AM
Long-term archiving on : Wednesday, March 6, 2019 - 12:59:06 PM

File

DDOC_T_2017_0291_HAAG.pdf
Files produced by the author(s)

Identifiers

  • HAL Id : tel-01909341, version 1

Citation

Jérémie Haag. Développement d'une méthodologie de la «modélisation compartimentale» des systèmes en écoulement avec ou sans réaction chimique à partir d'expériences de traçage et de simulations de mécanique des fluides numérique. Génie des procédés. Université de Lorraine, 2017. Français. ⟨NNT : 2017LORR0291⟩. ⟨tel-01909341⟩

Share

Metrics

Record views

42

Files downloads

16