Multiscale Modeling of Cu-based systems for Electrochemical CO₂ Reduction reaction
- Title
- Multiscale Modeling of Cu-based systems for Electrochemical CO₂ Reduction reaction
- Author(s)
- Ramakrishnan Velmurugan Adith
- DGIST Authors
- Ramakrishnan Velmurugan Adith ; Yun Hee Jang ; Dae Hyun Nam
- Advisor
- 장윤희
- Co-Advisor(s)
- Dae Hyun Nam
- Issued Date
- 2022
- Awarded Date
- 2022/08
- Type
- Thesis
- Description
- Electrochemical CO2RR Reaction, Multiscale modeling, Kinetics, Mass trasnport, Planar system, Gas diffusion Electrodes system
- Abstract
- Table Of Contents
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1 Introduction 1
1.1 Electrochemical CO2RR and challenges 1
1.2 Multiscale modeling approach 1
1.3 Models reported in this thesis 3
2 Overview of Electrochemical kinetics 4
3 H-cell model 5
3.1 Model Description 5
3.2 Results 10
3.2.1 Overall trends of the polarization curves 10
3.2.2 Robin Boundary Condition vs Electroneutrality 11
3.2.3 Concentration profiles 13
4 Flow cell model 19
4.1 Model Description 21
4.2 Results 28
4.2.1 Comparision of polarization curves 28
4.2.2 Effect of pore wetting 29
4.2.3 Effect of mass loading 30
4.2.4 Effect of Porosity 46
4.2.5 Effect of Pressure 62
4.2.6 Effect of Electrolyte Flow rate 77
5 Conclusion 93
- URI
-
http://dgist.dcollection.net/common/orgView/200000630522
http://hdl.handle.net/20.500.11750/16801
- Degree
- Master
- Department
- Department of Energy Science and Engineering
- Publisher
- DGIST
- Related Researcher
-
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Jang, Yun Hee
- Research Interests Multiscale molecular modeling (quantum mechanics calculation; molecular dynamics simulation) : Supercomputer-assisted molecular-level understanding of materials and their chemistry; which leads to rational design of high-performance organic-inorganic-hybrid materials for clean and renewable energy as well as low-energy-consumption electronic devices
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- Files in This Item:
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- Appears in Collections:
- Department of Energy Science and Engineering Theses Master
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