Data for Doctoral thesis'Towards realistic large-scale simulations of fixed bed chemical reactors: Bridging the gap between discrete element and porous media computational fluid dynamics models'

Data submitted for doctoral thesis 1) filename: Chapter_3_Fig_Data -> Excel file, with the data for Figure A.10 presented in Appendix C 2) Chapter_4_Fig_Data -> Excel file, data for all figures in Chapter 4 of the thesis. 3) Chapter_5_Fig_Data -> Excel file, data for all figures in Chapter 5 of the thesis. 4) 5S_beds_analysis_Avizo_method -> Excel file, containing all data of the 5S 100-300, 300-500, and 500-700 particles. 5) Bed_Characteristics_Avizo_method_v4 -> Excel file, containing all data of the 1S 100-300, 300-500, and 500-700 particles. 6) Chapter_6_Fig_Data -> Excel file, kinetic data derivation for the Ethanol dehydration reaction used in Chapter 6, shown in Appendix B7. 7) Profiles_Comparison_DEM_SR -> Excel file, containing all data for the radial profiles of all parameters of Chapter 6, for all three DEM, PM, and SR models. 8) Parallel_Profiles_Comparison_DEM_SR -> Excel file, containing all data for the axial profiles of all parameters of Chapter 6, for all three DEM, PM, and SR models. 9) Parametric_Studies -> Excel file, containing all data for the parametric studies related to Chapter 6, i.e., mesh independency study (Sheet "Mesh"), intraparticle porosity (Sheet "Porosity"), temperature (Sheet "Temperature" and "Bed-Temperature" for the 1- and 27-particle cases, respectively), WHSV (Sheet "WHSV" and "Bed - WHSV" for the 1- and 27-particle cases, respectively), and exothermicity (Sheet "Exothermicity"). 10) Comp_time_Complete -> Excel file, data for the computational resources of all cases of Chapter 6, i.e., Table 6.2, Figure 6.30, and section F.9 11) Final_cases_DEM_vs_SR -> PowerPoint presentation containing all contour plots of figure 6 Associated publications: The data of Chapter 4 has been published in the paper: DOI: 10.1039/D0FD00136H The data of Chapter 5 has been published in the paper: DOI: 10.1016/j.apt.2022.103932 Contributors for data collection: 1) Matthew E. Potter, Orchid ID: 0000-0001-9849-3306, for help with the 5S catalytic beds of Chapter 5 2) Katy Rankin, Orchid ID: 0000-0002-8458-1038, for doing the Computed Tomography (CT) scans of the catalytic beds of Chapter 5.