Activated Carbon Materials for Hydrogen Storage - University of Nottingham

This datasets includes 237 ultraporous activated carbon samples fom University of Nottingham. The first 188 samples are collected from previous research available in scientific literature, while the last 49 were generated during the MAST3RBoost project. Each row describes one sample, and the column provide composition information, experimental conditions, and characterisation measurements. Column headers are mostly self-explanatory. Additionally, each header is prefixed by “[input]” if the column describes the precursor mixture composition such as elemental ratios or reaction conditions such as reactiontemperature and duration. Conversely, the “[output]” is prepended to columns that provide characterisation quantities for the resulting AC material. These labels also indicate which quantities are supposed to be used as input for machine-learning models, and which are sensible performance metrics they should predict in their output. The output columns can be grouped into two categories. The first group lists the analysis results of nitrogen adsorption isotherms, including details of the isotherm fitting results, and pore size and volume estimates. The latter group provides the actual gravimetric and volumetric hydrogen uptake measurements. Samples from literature do not have H uptake characterisation since it was not done at the time. While H uptake is the true performance metric of interest for these materials, it was found during the project that pore surface area (ABET) estimated from N adsorption correlates strongly with H uptake and it can thus be used as a proxy parameter for the performance of these samples.