2021
DOI: 10.1016/j.heliyon.2020.e05772
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Proposal of an open-source computational toolbox for solving PDEs in the context of chemical reaction engineering using FEniCS and complementary components

Abstract: In this contribution, an open-source computational toolbox composed of FEniCS and complementary packages is introduced to the chemical and process engineering field by addressing two case studies. First, the oxidation of oxylene to phthalic anhydride is modelled and used as a FEniCS 0 proof-of-concept based on a comparison with the software Aspen Custom Modeler (ACM). The results show a maximum absolute error of 2% and thus a good FEniCS/ACM agreement. Second, synthetic natural gas (SNG) production through CO … Show more

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Cited by 6 publications
(2 citation statements)
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“…Such models can range in complexity from 0D lumped parameter models of blood flow (53,54) to 3D patient-specific models to replicate realistic cardiac haemodynamics (7,8,50,(55)(56)(57)(58)(59). Modelling of CFD requires integration in software packages such as CRIMSON, SimVascular and ELMER to perform simulations of cardiovascular flows in 0-3D (60)(61)(62)(63)(64).…”
Section: Imaging and Modelling Of Virchow's Triad 31 Blood Stasismentioning
confidence: 99%
“…Such models can range in complexity from 0D lumped parameter models of blood flow (53,54) to 3D patient-specific models to replicate realistic cardiac haemodynamics (7,8,50,(55)(56)(57)(58)(59). Modelling of CFD requires integration in software packages such as CRIMSON, SimVascular and ELMER to perform simulations of cardiovascular flows in 0-3D (60)(61)(62)(63)(64).…”
Section: Imaging and Modelling Of Virchow's Triad 31 Blood Stasismentioning
confidence: 99%
“…Hot spots are created as a result of either nonuniform activity of the catalysts or lack of heat transfer due to a low reactive stream flow rate. This problem has promoted many researchers to address this issue through either experimental investigations or modeling and simulations 5–11. Some of them ascertained that a comprehensive heat transfer modeling is a necessity if an excellent and safe PBC design is desired.…”
Section: Introductionmentioning
confidence: 99%