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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 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 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.
computational fluid dynamics, porous media, heterogeneous catalysis, fixed bed, chemical reactors
University of Southampton
Kyrimis, Stylianos
c58fb1be-3a2a-4231-bf5e-b49f1439cd4a
Potter, Matthew
34dee7dc-2f62-4022-bb65-fc7b7fb526d2
Rankin, Katy
d9516566-0ad8-473d-b99b-4683c663a2b7
Kyrimis, Stylianos
c58fb1be-3a2a-4231-bf5e-b49f1439cd4a
Potter, Matthew
34dee7dc-2f62-4022-bb65-fc7b7fb526d2
Rankin, Katy
d9516566-0ad8-473d-b99b-4683c663a2b7

Kyrimis, Stylianos (2023) 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'. University of Southampton doi:10.5258/SOTON/D2641 [Dataset]

Record type: Dataset

Abstract

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.

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5S_beds_analysis_Avizo_method_v4.xlsx - Dataset
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Bed_Characteristics_Avizo_method_v4.xlsx - Dataset
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Parallel_Profiles_Comparison_DEM_SR.xlsx - Dataset
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Comp_time_Complete.xlsx - Dataset
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Final_cases_DEM_vs_SR.pptx - Dataset
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More information

Published date: 24 May 2023
Keywords: computational fluid dynamics, porous media, heterogeneous catalysis, fixed bed, chemical reactors

Identifiers

Local EPrints ID: 478517
URI: http://eprints.soton.ac.uk/id/eprint/478517
PURE UUID: 96f74efd-4baf-4634-8a9f-f2cf4f198cfa
ORCID for Matthew Potter: ORCID iD orcid.org/0000-0001-9849-3306
ORCID for Katy Rankin: ORCID iD orcid.org/0000-0002-8458-1038

Catalogue record

Date deposited: 05 Jul 2023 17:09
Last modified: 06 Jul 2023 01:41

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Contributors

Creator: Stylianos Kyrimis
Data Collector: Matthew Potter ORCID iD
Data Collector: Katy Rankin ORCID iD

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