Role: Developer Org: ECSIM Full name: Open-Source PEMFC Simulation Tool Domain: Chemical data science — the tooling strand alongside the DBFC dataset and the ReaxFF boron work
Summary
OPEM, the Open-Source PEMFC Simulation Tool, evaluates how a proton exchange membrane fuel cell performs and predicts its optimum operating parameters. It bundles both static and dynamic models of the cell in one package.
The models are deliberately generic in what they accept. On the operating side they take the anode and cathode feed gas, its pressure and composition, the cell temperature, and the current density; on the hardware side they take the cell’s own parameters, such as active area and membrane thickness.
OPEM is developed under the ECSIM GitHub organisation and distributed as a Python package on PyPI. It is the simulation half of Sadra’s chemical data science work, whose experimental and atomistic halves are the DBFC dataset and the ReaxFF boron parameter set.
Links
Related
Experimental Dataset of Electrochemical Efficiency of a Direct Borohydride Fuel Cell (DBFC) — fuel cell dataset from the same ECSIM context, the measured counterpart to these simulations. ReaxFF Parameter Set for Boron Clusters and Icosahedral Boron Crystals — the third piece of the same chemical data science strand.