ProjID3 — CO₂ Adsorption Breakthrough in Packed-Bed Columns

Parametric Study of CO₂ Adsorption Breakthrough in Packed-Bed Columns. NP Year-3 Design Project (Apr 2026 semester). Supervisors: Prof. Erik Birgersson (NUS), Dr. Prapatsorn Borisut (SUTD).

Scope revised 30 Apr 2026: from TSA regeneration to adsorption breakthrough. Anything in this repo still referring to "regeneration", Foolproof_Study_Plan.md, or an SER/Elfving benchmark is old-scope and superseded — see src/docs/archive (DO NOT OPEN)/.

What's here

• src/docs/ — live scientific content (derivation, proofs, journals, sprints, source papers, LaTeX). Start with mechanistic-model.md.
• src/solver/ — Python solver + the breakthrough_fit/ 24-model fitter.
• src/solver/data/new runs/ — the five measured bench runs (run 3/4/5/6/8), the only real data.
• src/img/generated/ — generated figures/tables (headless, 300 dpi).
• CLAUDE.md / AGENTS.md — working instructions for AI agents (mirror each other; read before making changes).

Deliverables

• Interim Report — Mon 1 Jun 2026 (Wk 7): full PDE derivation + validated solver + baseline vs Stampi-Bombelli 2024 benchmark.
• Final Report — Mon 10 Aug 2026 (Wk 17).
• Final Presentation — 17–19 Aug 2026 (Wk 18).
• Validation gates (all pass by end Wk 6): A (linear adv-diff, L² < 1%) · B (R-H shock chord velocity ±10%) · C (Stampi-Bombelli τ_BT ±20% at 400 ppm).

Run

source venv/Scripts/activate        # Git Bash on Windows
pip install -r requirements.txt     # numpy, scipy, matplotlib

python new_runs_pipeline.py                      # 5 real runs -> breakthrough_out/run N/
python -m breakthrough_fit.assemble_may_prompt   # tables/figures -> src/img/generated/may_prompt/

The *ml_*g.csv and May-*.csv files under src/solver/data/ are synthetic-validation placeholders, not measured data.