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defnalk/README.md

Defne Nihal Ertugrul

MEng Chemical Engineering @ Imperial College London


About

I'm a chemical engineering student interested in computational modelling, energy systems, and the engineering challenges behind decarbonisation. I enjoy building tools that connect simulation and data analysis to real process design problems.


Featured Project: meapy

meapy CI Release CodeQL mypy strict cosign

A typed, tested Python package for the core calculations used in MEA based carbon capture pilot plant commissioning and evaluation, wrapped in the rigour of a production service:

  • 124 unit tests, ≥ 90 % coverage, mypy --strict, ruff lint+format
  • Multi stage Docker image (non root, < 150 MB) + Lambda and Cloud Run variants
  • GitHub Actions CI across py3.10/3.11/3.12 × Ubuntu/macOS, Codecov, Docker Scout
  • Tag driven release: TestPyPI → PyPI (OIDC) → multi arch GHCR with cosign signed images + SPDX SBOM attestation
  • Terraform IaC for AWS Lambda (arm64 container, ECR, IAM least priv, Function URL or API Gateway v2) and GCP Cloud Run
  • Keyless deploys via GitHub OIDC trust role · CodeQL · Dependabot · CODEOWNERS

github.com/defnalk/meapy


What I'm Building

Repository Description
SURF2026 Molecular simulation of electrochemical interfaces, Caltech SURF 2026, Fong Lab
meapy Typed Python library for MEA carbon capture pilot plant calculations
energyemissions End to end ETL pipeline for EU ETS emissions: Pandera → Postgres → dbt → Streamlit
laidlaw Decision support tool comparing CCS retrofits vs. electrification for hard to abate industries
sepflows Composable building blocks for separation process design: distillation, absorption, membranes

Skills & Tools

Python LAMMPS GROMACS NumPy SciPy pandas MDAnalysis matplotlib pytest LaTeX Git


Research Interests

  • Electric double layers: structure and dynamics of ions at electrified solid/liquid interfaces
  • Ion transport: diffusion and migration mechanisms in confined electrolytes
  • Direct air capture: sorbent design, process modelling, and technoeconomic analysis
  • Process systems engineering: optimisation and control of large scale chemical processes

Pinned Loading

  1. meapy meapy Public

    meapy provides a clean, tested, and typed API for the core calculations performed when commissioning and evaluating MEA-based carbon capture pilot plants

    Python 1

  2. lab-watcher lab-watcher Public

    Multi-language CLI for validating lab instrument CSV files: C++17 engine + JNI, Java 21 Picocli daemon with SQLite/Notion/Slack, Node.js live dashboard.

    Java 1

  3. laidlaw laidlaw Public

    Decision-support tool comparing CCS retrofits vs. electrification for hard-to-abate industries (steel, cement, chemicals) on cost, abatement, jobs, and timeline. Built for the Laidlaw Scholars Indu…

    Python 1

  4. sepflows sepflows Public

    provides composable, well-typed building blocks for separation process design inspired by the integrated methanol purification, CO₂ capture, and air separation flowsheet described in Separation Pro…

    Python 1

  5. cooltower cooltower Public

    provides production-grade implementations of the psychrometric equations, steady-flow energy and mass balances, and PI controller tuning methods used in industrial cooling tower design and lab anal…

    Python 1

  6. energyemissions energyemissions Public

    Production-grade ETL for EU ETS verified emissions: Pandera-validated ingest → Postgres → dbt marts → Streamlit dashboard, orchestrated by Prefect. Includes OLS forecasts and z-score anomaly detect…

    Python 1