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Added an RMS script (using iJulia) for flux diagram and ROP#17

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alongd merged 1 commit into
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rms1
Jul 3, 2026
Merged

Added an RMS script (using iJulia) for flux diagram and ROP#17
alongd merged 1 commit into
mainfrom
rms1

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@alongd

@alongd alongd commented Jun 29, 2023

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Can be used to generate flux diagrams:
image

@alongd alongd requested review from Copilot and removed request for NellyMitnik and josemvdh July 3, 2026 07:44

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@alongd alongd force-pushed the rms1 branch 2 times, most recently from 2bc6ce8 to d82bada Compare July 3, 2026 11:35
@alongd alongd requested a review from Copilot July 3, 2026 11:44

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Pull request overview

Copilot reviewed 4 out of 4 changed files in this pull request and generated 2 comments.

Comment thread RMS/README.md Outdated
Comment on lines +19 to +22
1. **Install Julia** (1.9+ recommended) — e.g. via [`juliaup`](https://github.com/JuliaLang/juliaup):
```bash
curl -fsSL https://install.julialang.org | sh
```
Comment thread RMS/Constant T P ideal gas reactor.ipynb Outdated
Julia/ReactionMechanismSimulator notebook: simulate a constant-T,P
ideal-gas batch reactor, then plot rate-of-production and a reaction
flux diagram.

Reworked from the original scratch notebook to be reusable: all inputs
(mechanism path, conditions, initial mole fractions, ROP/flux targets and
tolerances) live in one User-inputs cell instead of hardcoded personal
paths; added section markdown; dropped unused imports and the unused
run_sa flag; cleared embedded outputs. Adds README.md (environment setup
+ usage) and an example/ scaffold for a user-supplied mechanism.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
@alongd alongd merged commit 21a76a2 into main Jul 3, 2026
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2 participants