MOF/Carbon Mixed Materials for Hydrogen Storage - CSIR

The following dataset is a compilation of experiments performed at CSIR aimed at understanding how the performance of MOF materials is affected when mixing the MOF with other carbon-based substances. In all entries the base MOF is the same, and the best performing MOF from the Pretoria catalog. As usual, columns labelled [input] describe the composition of the mixtures, while [output] columns provide the characterisation results. The Sample type column is categorical: 0 for pristine, 1 for granulated, 2 for pelletized, 3 for powder. Following is the detailed description of the dataset columns: Binder content: this column shows the binder content. Binder (%) = (Binder content)/(Overall sample content)*100. Activated carbon: this column shows the activated carbon content. Activated carbon (%) = (Activated carbon content)/(Overall sample content)*100. Graphite content: this column shows the graphite content. Graphite (%) = (Graphite content)/(Overall sample content)*100. BET area: this column shows the BET Surface area of each sample. A BET Analysis was performed on the ASAP 2020 for each of these samples. The samples were degassed for 8 hours at 150 deg Celsius prior to the analysis. Thereafter they were dosed with 20 cm3/min of Nitrogen to determine their surface area. The surface area was found at relative pressures between 0.05 and 0.3. Pore volume: this column shows the pore volume which was found by BET Analysis. This volume is cumulative volume for pore sizes up to 2nm. Average pore size: this column shows the average pore sizes found by the BET Analysis. Density (from He): this column shows the density found using a AccuPyc 1340 pcynometer using Helium as the dosing gas. Bulk density: this column shows the manual calculated density. A known mass and volume of each sample was measured and the calculation was done according to the following equation: Bulk density = Mass/Volume. Cristallinity: this column represents the cristallinity. The samples were characterized in an XRD Instrument and the raw data was used to get these values. To get these values the data was transfer to the Origin software. Thereafter we calculated the area under the crystalline peaks and the area of the whole spectra. The crystallinity was found using the following formula: Crystallinity (%) = (Area of the crystalline peaks)/(Area of the whole spectra) * 100. Mechanical Strength: this column shows the mechanical strength. The powdered samples couldn't be tested. To find these values a drop test was performed. A granule/pellet of known mass was dropped from a height of 2.2 meters onto a clean metal surface. The granule/pellet was weighed in between the drop until a change in mass was observed. Thereafter using the mechanical strength was calculated using the following formula: Mechanical strength = n*(m*g*h). Where n represents the number of drops and (m*g*h) represents the potential energy stored in the granules/pellet. Thermal conductivity: this column shows the thermal conductivity. This was tested at the University of Free State as there was no inhouse instrument to test this parameter. The samples were shaped in 20 mm pellets and were sent to UFS. H uptake: This column shows the amount of hydrogen that each sample can store at 1 bar. The sample were degassed for 8 hours at 150 deg Celsius prior to the analysis being done. Thereafter hydrogen was dosed at 5cm3 into the sample at various pressures to determine the amount of hydrogen that can be stored at each pressure up to 1 bar.