DOI: 10.5281/zenodo.17771207
title: Dataset for "Relationships between milling input energy and chemical reactivity for mechano-chemical activation of clays"

description: This dataset contains research data relating to the publication "Relationships between milling input energy and chemical reactivity for mechano-chemical activation of clays". The contents of the files are summarised below.

*README_2025-12-08.txt

Contains a summary of author and license information, and the contents of the other two files.

* Research dataset_2025-12-08.ods

This workbook contains the datapoints plotted in the figures in the article. Each tab corresponds to an individual figure. The full methodological descriptions are found in the Methods section of the associated research article. Descriptions of the relevant figures are below:

1A    R3 chemical reactivity v. modelled energy input for all data1B    Example model curves plotting dummy data, showing the effect of changing parameters ΔHmin and kd 1C    Fitted curves for the original cumulative heat reactivity data generated in this study, wherein each clay grouping contains only a single source clay. 1D    Fitted curves for original and literature-derived data for cumulative heat reactivity, wherein each clay grouping contains >1 source clay.  2    R3 chemical reactivity v. energy per individual collision (ΔEb*), grouped by mineralogy.3A    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: ball:powder ratio and rotation speed3B    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: ball:powder ratio and milling duration3C    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: rotation speed and ball:powder ratio3D    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: rotation speed and milling duration3E    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: milling duration and ball:powder ratio3F    Effect on modelled milling energy input (kJ / g) from changing combinations of continuous variables: milling duration and rotation speed4    Measured energy consumption v. modelled energy input, for data generated in this study. Each series corresponds to a series of milling parameters varying one independent parameter: BPR = ball:powder ratio; RPM = rotation speed (rpm); duration = duration of milling (minutes). 5A    R3 chemical reactivity v. measured energy consumption for the data generated in this study5B    R3 chemical reactivity v. measured energy consumption for the 1:1 clay data only, generated in this study. Each series corresponds to a series of milling parameters varying one independent parameter: BPR = ball:powder ratio; RPM = rotation speed (rpm); duration = duration of milling (minutes). 6A    Activation efficiency metric v. R3 chemical reactivity. The series suffixes represent the series varying each continuous milling parameter: “min” = milling duration; “rpm” = rotation speed; “bpr” = ball:powder ratio. 6B    Activation efficiency metric v. R3 chemical reactivity for the 1:1 clay data only, generated in this study. Each series corresponds to a series of milling parameters varying one independent parameter: BPR = ball:powder ratio; RPM = rotation speed (rpm); duration = duration of milling

* Modelled milling energy calculations workbook_2025-12-08.xlxs

This workbook calculates the modelled milling input energy for the mechano-chemical activation of clay via planetary ball mill, using the model of Burgio et al. (1991) (full reference and DOI below). It contains the input data used to calculate modelled milling input energy and activation efficiency datapoints for the associated research article. It can also be used as a stand-alone tool to calculated modelled milling input energy.

The three worksheets are:"Inputs" = contains necessary data inputs regarding milling parameters, and also performance measurements (i.e. R3 values). For original data, measured energy consumption is also listed."Calcs" = contains a series of calculation steps, to calculate individual collision energy, and total modelled milling input energy. Each calculation step is explained in the header row with regards to a specific equation in the study of Burgio et al. (1991). Input values are all linked from the ""Input"" sheet. Some cells use a LOOKUP function to automatically fill in values based on vessel size - these are linked to the ""Dropdown options"" worksheet."Dropdown options" = contains pre-defined options relating to mill and vessel parameters, specifically for a Retsch PM100 planetary ball mill.