Optimal design of a structured fixed-bed reactor using geometry optimization and Stratoconception printing process

Alexis Courtais (1) , François Lesage (1) , Yannick Privat (2, 3) , Cyril Pelaingre (4) , Abderrazak Latifi (1)

1 LRGP - Laboratoire Réactions et Génie des Procédés
2 IRMA - Institut de Recherche Mathématique Avancée
3 TONUS - TOkamaks and NUmerical Simulations
4 CIRTES - Centre Européen de Prototypage et d'Outillage Rapide

The aim of this paper is to determine the shape of a fixed-bed reactor which maxi- mizes the conversion rate under the constraints of process model equations (i.e. conti- nuity, Navier-Stokes, and mass balance equations), energy dissipation, iso-volume, and manufacturing. Incompressible fluid, laminar flow regime and steady-state conditions in the reactor are the main assumptions taken into account. The optimization method developed is based on the adjoint system method and OpenFOAM framework is used as CFD solver to compute the state vector and its adjoint variables introduced by the optimization approach. The algorithm developed is then tested on two different cases, a reactor where a first order homogeneous reaction takes place and another one involving a surface reaction. The optimization results show a significant reduction of the performance index by 10% in the first case, and by 20% in the second one. Finally, initial and optimal shapes are manufactured using a 3D printing technique.

Mots clés: Shape optimization; Adjoint system method; Computational fluid dynamics; OpenFOAM environment; Fixed-bed reactor; Additive manufacturing

Domaines: Equations aux dérivées partielles [math.AP]; Optimisation et contrôle [math.OC]

Alexis Courtais, François Lesage, Yannick Privat, Cyril Pelaingre, Abderrazak Latifi. Optimal design of a structured fixed-bed reactor using geometry optimization and Stratoconception printing process. Computers & Chemical Engineering, 2021, 153, pp.107405. ⟨10.1016/j.compchemeng.2021.107405⟩. ⟨hal-03126590v2⟩