pulsed-reactor-optimisation

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pulsed-reactor-optimisation

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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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// repository documentation

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# ML-Assisted Flow Reactor Design

[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black) [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/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```](https://github.com/damogranlabs/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 git@github.com:damogranlabs/classy_blocks.git
```

- Create and activate the Anaconda environment
```
$ conda env create -f environment.yml
$ conda activate mf_design_env
```

### Requirements
- Strongly advise using Linux.
- OpenFOAM V1906
- Anaconda
- [Swak4FOAM download](https://openfoamwiki.net/index.php/Installation/swak4Foam/Downloading) (development version)
- [Swak4FOAM install](https://openfoamwiki.net/index.php/Installation/swak4Foam)

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