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Engineering Solutions for CO2 Conversion

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1 CO2 Capture – A Brief Review of Technologies and Its Integration 1.1 Introduction: The Role of Carbon Capture 1.2 CO2 Capture Technologies 1.3 Integration of Post‐combustion CO2 Capture in the Power Plant and Electricity Grid 1.4 CO2 Capture in the Industrial Sector 1.5 Conclusions References Notes

2 Advancing CCSU Technologies with Computational Fluid Dynamics (CFD): A Look at the Future by Linking CFD and Process Simulations 2.1 Sweep Across the General Simulation Techniques Available 2.2 Multi‐scale Approach for CFD Simulation of Amine Scrubbers 2.3 Eulerian, Eulerian–Lagrangian, and Discrete Element Methods for the Simulation of Calcium Looping, Mineral Carbonation, and Adsorption in Other Solid Particulate Materials 2.4 CFD for Oxy‐fuel Combustion Technologies: The Application of Single‐Phase Reactive Flows and Particle Tracking Algorithms 2.5 CFD for Carbon Storage and Enhanced Oil Recovery (EOR): The Link Between Advanced Imaging Techniques and CFD 2.6 CFD for Carbon Utilization with Chemical Conversion: The Importance of Numerical Techniques on the Study of New Catalysts 2.7 CFD for Biological Utilization: Microalgae Cultivation 2.8 What Does the Future Hold? References

3 Membranes Technologies for Efficient CO2 Capture–Conversion 3.1 Introduction 3.2 Polymer Membranes 3.3 Oxygen Transport Membranes for CO2 Valorization 3.4 Protonic Membranes 3.5 Membranes for Electrochemical Applications 3.6 Conclusions and Final Remarks References

4 Computational Modeling of Carbon Dioxide Catalytic Conversion 4.1 Introduction 4.2 General Methods for Theoretical Catalysis Research 4.3 Characterizing the Catalyst and Its Interaction with CO2 Using DFT Calculations 4.4 Microkinetic Modeling in Heterogeneous Catalysis 4.5 New Trends: High‐Throughput Screening, Volcano Plots, and Machine Learning References

5 An Overview of the Transition to a Carbon‐Neutral Steel Industry 5.1 Introduction 5.2 Global Relevance of the Steel Industry 5.3 Current Trends in Emission Policies in the World's Leading Countries in Steel Industry 5.4 Transition to a Carbon‐Neutral Production. A Big Challenge for the Steel Industry 5.5 CO2 Methanation: An Interesting Opportunity for the Valorization of the Steel Industry Emissions 5.6 Relevant Projects Already Launched for the Valorization of the CO2 Emitted by the Steel Industry 5.7 Concluding Remarks References

6 Potential Processes for Simultaneous Biogas Upgrading and Carbon Dioxide Utilization 6.1 Introduction 6.2 Overview of Biogas General Characteristics and Upgrading Technologies to Bio‐methane Production 6.3 CCU Main Technologies 6.4 Potential Processes for Biogas Upgrading and Carbon Utilization 6.5 Conclusions References

10  7 Biogas Sweetening Technologies 7.1 Introduction 7.2 Biogas Purification Technologies 7.3 Biogas Upgrading Technologies 7.4 Conclusions References

11  8 CO2 Conversion to Value‐Added Gas‐Phase Products: Technology Overview and Catalysts Selection 8.1 Chapter Overview 8.2 CO2 Methanation 8.3 RWGS Reaction 8.4 CO2 Reforming Reactions 8.5 Conclusions and Final Remarks References

12  9 CO2 Utilization Enabled by Microchannel Reactors 9.1 Introduction 9.2 Transport Phenomena and Heat Exchange in Microchannel Reactors 9.3 Application of Microreactors in CO2 Capture, Storage, and Utilization Processes 9.4 Concluding Remarks and Future Perspectives References

13  10 Analysis of High‐Pressure Conditions in CO2 Hydrogenation Processes 10.1 Introduction 10.2 Thermodynamic Aspects 10.3 Overview of Some Industrial Approaches Focused on the Production of Valuable Compounds form CO2 Using a Carbon Capture and Utilization (CCU) Approach 10.4 Techno‐Economic Considerations for the Methanol Production from a CCU Approach with the Use of High Pressure 10.5 Concluding Remarks References Notes

14  11 Sabatier‐Based Direct Synthesis of Methane and Methanol Using CO2 from Industrial Gas Mixtures 11.1 Overview 11.2 Methane Synthesis of Gas Mixtures 11.3 Applications 11.4 Methanol Synthesis Acknowledgments References

15  12 Survey of Heterogeneous Catalysts for the CO2 Reduction to CO via Reverse Water Gas Shift 12.1 Introduction 12.2 RWGS Catalysts 12.3 Mechanism of RWGS Reaction References

16  13 Electrocatalytic Conversion of CO2 to Syngas 13.1 Introduction 13.2 Production of Syngas 13.3 Electroreduction of CO2/Water Mixtures to Syngas 13.4 Conclusions Acknowledgments References

17  14 Recent Progress on Catalyst Development for CO2 Conversion into Value‐Added Chemicals by Photo‐ and Electroreduction 14.1 Introduction 14.2 CO2 Catalytic Conversion by Photoreduction 14.3 CO2 Catalytic Conversion by Electroreduction References

18  15 Yolk@Shell Materials for CO2 Conversion: Chemical and Photochemical Applications 15.1 Overview 15.2 Key Benefits of Hierarchical Morphology 15.3 Materials for Chemical CO2 Recycling Reactions 15.4 Synthesis Techniques for CS/YS: A Brief Overview 15.5 Future Advancement References

19  16 Aliphatic Polycarbonates Derived from Epoxides and CO2 16.1 Introduction 16.2 Aliphatic Polycarbonates 16.3 Catalyst Systems for the CO2/Epoxide Copolymerization 16.4 Conclusion References

20  17 Metal–Organic Frameworks (MOFs) for CO2 Cycloaddition Reactions 17.1 Introduction to MOF 17.2 MOFs as Catalysts 17.3 CO2 Cycloadditions 17.4 Oxidative Carboxylation References

21  18 Plasma‐Assisted Conversion of CO2 18.1 Introduction 18.2 Plasma‐catalytic CO2 Conversion 18.3 Perspective 18.4 Conclusion References

22  Index

23  End User License Agreement

Engineering Solutions for CO2 Conversion

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