READ ME File For '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''

Dataset DOI: 10.5258/SOTON/D2641

ReadMe Author: Stylianos Kyrimis, University of Southampton, ORCID ID: 0000-0002-6195-9421

This dataset supports the thesis entitled:
"Towards realistic large-scale simulations of fixed bed chemical reactors: Bridging the gap between discrete element and porous media computational fluid dynamics models"
AWARDED BY: Univeristy of Southampton
DATE OF AWARD: 2023

DESCRIPTION OF THE DATA

This dataset contains the following files:

1) 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 



Licence:
CC-BY

Related projects/Funders:
Southampton Marine and Maritime Institute (SMMI)

Related publication:
1) DOI: 10.1039/D0FD00136H
2) DOI: 10.1016/j.apt.2022.103932

Date that the file was created: July, 2023

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