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This repository contains code to optimise the geometric parameters and operating conditions of a computational fluid dynamics model of a pulsed flow helical tube reactor.

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OptiMaL-PSE-Lab/pulsed-reactor-optimisation

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inversion demonstration

ML-Assisted Flow Reactor Design

Code style: black License: MIT

Outline

pulsed_flow_helical_tube contains the code to optimise helical-tube reactor geometry and operating conditions.

mesh_generation contains mesh generation code. Helical tube reactors are meshed in Python using classy_blocks. Meshes are generated based on parameterisation variables, as well as fidelities.

parameterisation_study contains the code relating to the optimisation of coil cross-section and path.

Instructions for Simulated Chemical Reactors

  • Install the classy_blocks library as a submodule in the mesh_generation folder
$ cd mesh_generation
$ git submodule add [email protected]:damogranlabs/classy_blocks.git
  • Create and activate the Anaconda environment
$ conda env create -f environment.yml
$ conda activate mf_design_env

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This repository contains code to optimise the geometric parameters and operating conditions of a computational fluid dynamics model of a pulsed flow helical tube reactor.

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