ChemE-as-Code: An Open-Source Platform for Agentic AI in Chemical Engineering

Abstract:ChemE-as-Code provides an open-source environment in which AI agents built on large language models (LLMs) can carry out chemical engineering work and engineers can check it. Its calculation tools range from catalysis through process simulation to plant layout, HAZOP and life cycle assessment, and skills tell a general-purpose agent how to use them. Engineering files are linked, machine-readable and versioned in Git; calculations run outside the LLM, each value records its origin, and automated checks report inconsistencies and out-of-date results by file and line. In an illustrative ammonia case, agents developed a written task into a preliminary basic-engineering package (simulation files, P&IDs, layout, HAZOP, datasheets, relief) for USD 224 of API cost in the design sessions. Planted faults and engineering changes show that the checks find what their rules cover and miss the rest, so they guide human review rather than replace it. No independent engineer has reviewed the design.

28 pages, 4 figures, 5 tables; Supporting Information (28 pages) appended. Submitted to AIChE Journal. Code and data: this https URL

Artificial Intelligence (cs.AI)

arXiv:2611.07947 [cs.AI]

(or arXiv:2611.07947v1 [cs.AI] for this version)

https://doi.org/10.48550/arXiv.2611.07947 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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