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Engineering Solutions for CO2 Conversion
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Description
A comprehensive guide that offers a review of the current technologies that tackle CO2 emissions
The race to reduce CO2 emissions continues to be an urgent global challenge. "Engineering Solutions for CO2 Conversion" offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion.
"Engineering Solutions for CO2 Conversion" explores a broad range of topics including linking CFD and process simulations, membranes technologies for efficient CO2 capture-conversion, biogas sweetening technologies, plasma-assisted conversion of CO2, and much more.
This important resource:
* Addresses a pressing concern of global environmental damage, caused by the greenhouse gases emissions from fossil fuels
* Contains a review of the most current developments on the various aspects of CO2 capture and utilization strategies
* Incldues information on chemical, physical, engineering and economical facets of CO2 capture and utilization
* Offers in-depth insight into materials design, processing characterization, and computer modeling with respect to CO2 capture and conversion
Written for catalytic chemists, electrochemists, process engineers, chemical engineers, chemists in industry, photochemists, environmental chemists, theoretical chemists, environmental officers, "Engineering Solutions for CO2 Conversion" provides the most current and expert information on the many aspects and challenges of CO2 conversion.
show more
The race to reduce CO2 emissions continues to be an urgent global challenge. "Engineering Solutions for CO2 Conversion" offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion.
"Engineering Solutions for CO2 Conversion" explores a broad range of topics including linking CFD and process simulations, membranes technologies for efficient CO2 capture-conversion, biogas sweetening technologies, plasma-assisted conversion of CO2, and much more.
This important resource:
* Addresses a pressing concern of global environmental damage, caused by the greenhouse gases emissions from fossil fuels
* Contains a review of the most current developments on the various aspects of CO2 capture and utilization strategies
* Incldues information on chemical, physical, engineering and economical facets of CO2 capture and utilization
* Offers in-depth insight into materials design, processing characterization, and computer modeling with respect to CO2 capture and conversion
Written for catalytic chemists, electrochemists, process engineers, chemical engineers, chemists in industry, photochemists, environmental chemists, theoretical chemists, environmental officers, "Engineering Solutions for CO2 Conversion" provides the most current and expert information on the many aspects and challenges of CO2 conversion.
show more
Product details
- Hardback | 496 pages
- 176 x 249 x 28mm | 1,064g
- 19 Jul 2021
- Wiley-VCH Verlag GmbH
- Weinheim, Germany
- English
- 1. Auflage
- 400 schwarz-weiße und 120 farbige Abbildungen
- 3527346392
- 9783527346394
Back cover copy
A comprehensive guide that offers a review of the current technologies that tackle CO2 emissions
The race to reduce CO2 emissions continues to be an urgent global challenge. Engineering Solutions for CO2 Conversion offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion.
Engineering Solutions for CO2 Conversion explores a broad range of topics including linking CFD and process simulations, membranes technologies for efficient CO2 capture-conversion, biogas sweetening technologies, plasma-assisted conversion of CO2, and much more. This important resource:
Addresses a pressing concern of global environmental damage, caused by the greenhouse gases emissions from fossil fuels Contains a review of the most current developments on the various aspects of CO2 capture and utilization strategies Includes information on chemical, physical, engineering and economical facets of CO2 capture and utilization Offers in-depth insight into materials design, processing characterization, and computer modeling with respect to CO2 capture and conversion
Written for catalytic chemists, electrochemists, process engineers, chemical engineers, industrialists, photochemists, environmental engineers, theoretical chemists, environmental officers, Engineering Solutions for CO2 Conversion provides the most current and expert information on the many aspects and challenges of CO2 conversion.
show more
The race to reduce CO2 emissions continues to be an urgent global challenge. Engineering Solutions for CO2 Conversion offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion.
Engineering Solutions for CO2 Conversion explores a broad range of topics including linking CFD and process simulations, membranes technologies for efficient CO2 capture-conversion, biogas sweetening technologies, plasma-assisted conversion of CO2, and much more. This important resource:
Addresses a pressing concern of global environmental damage, caused by the greenhouse gases emissions from fossil fuels Contains a review of the most current developments on the various aspects of CO2 capture and utilization strategies Includes information on chemical, physical, engineering and economical facets of CO2 capture and utilization Offers in-depth insight into materials design, processing characterization, and computer modeling with respect to CO2 capture and conversion
Written for catalytic chemists, electrochemists, process engineers, chemical engineers, industrialists, photochemists, environmental engineers, theoretical chemists, environmental officers, Engineering Solutions for CO2 Conversion provides the most current and expert information on the many aspects and challenges of CO2 conversion.
show more
Table of contents
1 CO2 Capture - A Brief Review of Technologies and Its Integration 1
Monica Garcia, Theo Chronopoulos, and Ruben M. Montanes
1.1 Introduction: The Role of Carbon Capture 1
1.2 CO2 Capture Technologies 2
1.2.1 Status of CO2 Capture Deployment 2
1.2.2 Pre-combustion 2
1.2.3 Oxyfuel 3
1.2.4 Post-combustion 3
1.2.4.1 Adsorption 4
1.2.4.2 High-Temperature Solids Looping Technologies 7
1.2.4.3 Membranes 8
1.2.4.4 Chemical Absorption 9
1.2.5 Others CO2 Capture/Separation Technologies 13
1.2.5.1 Fuel Cells 13
1.3 Integration of Post-combustion CO2 Capture in the Power Plant and Electricity Grid 17
1.3.1 Integration of the Capture Unit in the Thermal Power Plant 17
1.3.2 Flexible Operation of Thermal Power Plants in Future Energy Systems 20
1.4 CO2 Capture in the Industrial Sector 21
1.5 Conclusions 22
References 24
2 Advancing CCSU Technologies with Computational Fluid Dynamics (CFD): A Look at the Future by Linking CFD and Process Simulations 29
Daniel Sebastia-Saez, Evgenia Mechleri, and Harvey Arellano-Garcia
2.1 Sweep Across the General Simulation Techniques Available 29
2.2 Multi-scale Approach for CFD Simulation of Amine Scrubbers 32
2.3 Eulerian, Eulerian-Lagrangian, and Discrete Element Methods for the Simulation of Calcium Looping, Mineral Carbonation, and Adsorption in Other Solid Particulate Materials 38
2.4 CFD for Oxy-fuel Combustion Technologies: The Application of Single-Phase Reactive Flows and Particle Tracking Algorithms 41
2.5 CFD for Carbon Storage and Enhanced Oil Recovery (EOR): The Link Between Advanced Imaging Techniques and CFD 41
2.6 CFD for Carbon Utilization with Chemical Conversion: The Importance of Numerical Techniques on the Study of New Catalysts 44
2.7 CFD for Biological Utilization: Microalgae Cultivation 46
2.8 What Does the Future Hold? 47
References 49
3 Membranes Technologies for Efficient CO2 Capture-Conversion 55
Sonia Remiro-Buenamanana, Laura Navarrete, Julio Garcia-Fayos, Sara Escorihuela, Sonia Escolastico, and Jose M. Serra
3.1 Introduction 55
3.2 Polymer Membranes 56
3.3 Oxygen Transport Membranes for CO2 Valorization 60
3.3.1 Oxygen Transport Membrane Fundamentals 61
3.3.2 Application Concepts of OTMs for Carbon Capture and Storage (CCS) 63
3.3.3 Existing Developments 63
3.4 Protonic Membranes 65
3.4.1 Proton Defects in Oxide Ceramics 65
3.4.2 Proton Transport Membrane Fundamentals 67
3.4.3 Application Concepts of Proton Conducting Membranes 68
3.5 Membranes for Electrochemical Applications 69
3.5.1 Electrolysis and Co-electrolysis Processes 69
3.5.1.1 Water Electrolysis 70
3.5.1.2 CO2 Co-electrolysis 73
3.5.2 Synthesis Gas Chemistry 75
3.5.3 Other Applications 76
3.5.3.1 Methane Steam Reforming 76
3.5.3.2 Methane Dehydroaromatization 78
3.6 Conclusions and Final Remarks 78
References 79
4 Computational Modeling of Carbon Dioxide Catalytic Conversion 85
Javier Amaya Suarez, Elena R. Remesal, Jose J. Plata, Antonio M. Marquez, and Javier Fernandez Sanz
4.1 Introduction 85
4.2 General Methods for Theoretical Catalysis Research 85
4.3 Characterizing the Catalyst and Its Interaction with CO2 Using DFT Calculations 87
4.4 Microkinetic Modeling in Heterogeneous Catalysis 89
4.5 New Trends: High-Throughput Screening, Volcano Plots, and Machine Learning 92
4.5.1 High-Throughput Screening 92
4.5.2 Volcano Plots and Scaling Relations 93
4.5.3 DFT and Machine Learning 93
4.5.3.1 Machine-Learned Potentials 95
4.5.3.2 Descriptors to Predict Catalytic Properties 95
4.5.3.3 Future Challenges in HT-DFT Applied to Catalysis 96
References 97
5 An Overview of the Transition to a Carbon-Neutral Steel Industry 105
Juan C. Navarro, Pablo Navarro, Oscar H. Laguna, Miguel A. Centeno, and Jose A. Odriozola
5.1 Introduction 105
5.2 Global Relevance of the Steel Industry 106
5.2.1 Features that Make Steel a Special Material 107
5.3 Current Trends in Emission Policies in theWorld's Leading Countries in Steel Industry 109
5.4 Transition to a Carbon-Neutral Production. A Big Challenge for the Steel Industry 110
5.4.1 Urea 113
5.4.2 Methanol and Formic Acid 114
5.4.3 Carbon Monoxide 114
5.4.4 Methane 114
5.5 CO2 Methanation: An Interesting Opportunity for the Valorization of the Steel Industry Emissions 114
5.6 Relevant Projects Already Launched for the Valorization of the CO2 Emitted by the Steel Industry 116
5.7 Concluding Remarks 119
References 120
6 Potential Processes for Simultaneous Biogas Upgrading and Carbon Dioxide Utilization 125
Francisco M. Baena-Moreno, Monica Rodriguez-Galan, Fernando Vega, Isabel Malico, and Benito Navarrete
6.1 Introduction 125
6.2 Overview of Biogas General Characteristics and Upgrading Technologies to Bio-methane Production 127
6.2.1 Biogas Composition and Applications 127
6.2.2 Biogas Upgrading Processes 127
6.2.2.1 Water Scrubbing 129
6.2.2.2 Pressure Swing Adsorption 129
6.2.2.3 Chemical Scrubbing 129
6.2.2.4 Organic Physical Scrubbing 129
6.2.2.5 Membrane Separation 129
6.2.2.6 Cryogenic Separation 130
6.3 CCU Main Technologies 131
6.3.1 Supercritical CO2 as a Solvent 131
6.3.2 Chemicals from CO2 132
6.3.3 Mineral Carbonation 132
6.3.4 Fuels from CO2 133
6.3.5 Algae Production 133
6.3.6 Enhanced Oil Recovery (EOR) 133
6.4 Potential Processes for Biogas Upgrading and Carbon Utilization 133
6.4.1 Chemical Scrubbing Coupled with CCU 134
6.4.2 Membrane Separation Coupled with CCU 135
6.4.3 Cryogenic Separation Coupled with CCU 136
6.5 Conclusions 138
References 139
7 Biogas Sweetening Technologies 145
Nikolaos D. Charisiou, Savvas L. Douvartzides, and Maria A. Goula
7.1 Introduction 145
7.2 Biogas Purification Technologies 146
7.2.1 Removal ofWater Vapor (H2O(g)) 146
7.2.2 Removal of Hydrogen Sulfide (H2S) and Other Sulfur-Containing Compounds 148
7.2.2.1 In Situ Precipitation of H2S Through Air/Oxygen Injection 148
7.2.2.2 In Situ Precipitation of H2S Through Iron Chloride/Oxide Injection 148
7.2.2.3 Adsorption by Activated Carbon 149
7.2.2.4 Zeolite-Based Sieve (Molecular Sieve) 150
7.2.2.5 Water Scrubbing 150
7.2.2.6 Organic Solvent Scrubbing 151
7.2.2.7 Sodium Hydroxide Scrubbing 151
7.2.2.8 Chemical Adsorption via Iron Oxide or Hydroxide (Iron Sponge) 152
7.2.2.9 Biological Filters 152
7.2.3 Removal of Siloxanes 153
7.2.3.1 Organic Solvent Scrubbing 154
7.2.3.2 Adsorption on Activated Carbon, Molecular Sieves, and Silica Gel 154
7.2.3.3 Membrane Separation 155
7.2.3.4 Biological Filters 156
7.2.3.5 Cryogenic Condensation 156
7.2.4 Removal of Volatile Organic Compound (VOCs) 156
7.2.5 Removal of Ammonia (NH3) 156
7.2.6 Removal of Oxygen (O2) and Nitrogen (N2) 157
7.3 Biogas Upgrading Technologies 157
7.3.1 Water Scrubbing 157
7.3.2 Organic Solvent Scrubbing 160
7.3.3 Chemical Scrubbing 160
7.3.4 Pressure Swing Adsorption 162
7.3.5 Polymeric Membranes 163
7.3.6 Cryogenic Treatment 165
7.4 Conclusions 166
References 166
8 CO2 Conversion to Value-Added Gas-Phase Products: Technology Overview and Catalysts Selection 175
Qi Zhang, Laura Pastor-Perez, Xiangping Zhang, Sai Gu, and Tomas R Reina
8.1 Chapter Overview 175
8.2 CO2 Methanation 176
8.2.1 Background 176
8.2.2 Fundamentals 177
8.2.3 Catalysts 178
8.2.3.1 Ruthenium-Based Catalysts 178
8.2.3.2 Nickel-Based Catalysts 179
8.2.3.3 Rhodium and Palladium-Based Catalysts 182
8.3 RWGS Reaction 183
8.3.1 Background 183
8.3.2 Fundamentals 184
8.3.3 Catalysts 184
8.3.3.1 Noble Metal-Based Catalysts 185
8.3.3.2 Copper-Based Catalysts 185
8.3.3.3 Ceria-Based Support Catalysts 186
8.3.3.4 Carbide Support Catalysts 187
8.4 CO2 Reforming Reactions 188
8.4.1 Background 188
8.4.2 Fundamentals 189
8.4.3 Catalysts 190
8.4.3.1 Noble Metal-Based Catalysts 190
8.4.3.2 Ni-Based Catalysts 191
8.4.3.3 Catalytic Supports 193
8.5 Conclusions and Final Remarks 195
References 195
9 CO2 Utilization Enabled by Microchannel Reactors 205
Luis F. Bobadilla, Lola Azancot, and Jose A. Odriozola
9.1 Introduction 205
9.2 Transport Phenomena and Heat Exchange in Microchannel Reactors 207
9.2.1 Microfluidics and Mixing Flow 208
9.2.2 Heat Exchange and Temperature Control 210
9.3 Application of Microreactors in CO2 Capture, Storage, and Utilization Processes 212
9.3.1 CO2 Capture and Storage (CCS) 212
9.3.2 CO2 as a Feedstock for Producing Valuable Commodity Chemicals 214
9.3.2.1 Methanation of Carbon Dioxide (Sabatier Reaction) 214
9.3.2.2 CO2-to-Methanol and Dimethyl Ether (DME) Transformation 217
9.3.2.3 CO2-to-Higher Hydrocarbons and Fuels 218
9.3.2.4 Production of Cyclic Organic Carbonates 219
9.4 Concluding Remarks and Future Perspectives 221
References 221
10 Analysis of High-Pressure Conditions in CO2 Hydrogenation Processes 227
Andrea Alvarez Moreno, Esmeralda Portillo, and Oscar Hernando Laguna
10.1 Introduction 227
10.2 Thermodynamic Aspects 229
10.2.1 Le Chatelier Principle as a SimpleWay to Understand the Effect of Pressure in Chemical Reactions 230
10.2.2 Equilibrium Composition Calculations of High-Pressure Gas Reactions Based on the Computerized Gibbs Energy Minimization 232
10.3 Overview of Some Industrial Approaches Focused on the Production of Valuable Compounds form CO2 Using a Carbon Capture and Utilization (CCU) Approach 234
10.3.1 Industrial Production of Methanol 235
10.3.2 Production of Methane 237
10.4 Techno-Economic Considerations for the Methanol Production from a CCU Approach with the Use of High Pressure 238
10.5 Concluding Remarks 248
References 248
11 Sabatier-Based Direct Synthesis of Methane and Methanol Using CO2 from Industrial Gas Mixtures 253
K. Muller, J. Israel, F. Rachow, and D. Schmeisser
11.1 Overview 253
11.2 Methane Synthesis of Gas Mixtures 255
11.2.1 Thermodynamics of Methane Conversion 255
11.2.2 Experimental Setup, General Definitions, and Catalysts 256
11.2.3 Industrial Gas Mixtures 258
11.3 Applications 260
11.3.1 APP-01: Combustion Plant Flue Gas 260
11.3.2 APP-02: Coke Oven Gas (COG) 264
11.3.3 APP-03: Saline Aquifer Back-Produced CO2 267
11.3.4 APP-04: Biogenic CO2 Sources 268
11.3.5 APP-05: Oxyfuel Operation in Gas Engines 269
11.3.6 APP-06: Reusage of CH4 Product Gas Mixtures 270
11.4 Methanol Synthesis 274
Acknowledgments 277
References 277
12 Survey of Heterogeneous Catalysts for the CO2 Reduction to CO via Reverse Water Gas Shift 281
Thomas Mathew, Simi Saju, and Shiju N. Raveendran
12.1 Introduction 281
12.2 RWGS Catalysts 281
12.2.1 Supported Metal Catalysts 282
12.2.1.1 Au-Based Catalysts 282
12.2.1.2 Pt-Based Catalysts 286
12.2.1.3 Rh-Based Catalysts 286
12.2.1.4 Ru-Based Catalysts 288
12.2.1.5 Pd- and Ir-Based Catalysts 289
12.2.1.6 Cu-Based Catalysts 290
12.2.1.7 Ni-Based Catalysts 295
12.2.2 Oxide Systems 298
12.2.3 Transition Metal Carbides 300
12.3 Mechanism of RWGS Reaction 306
References 307
13 Electrocatalytic Conversion of CO2 to Syngas 317
Manuel Antonio Diaz-Perez, A. de Lucas Consuegra, and Juan Carlos Serrano-Ruiz
13.1 Introduction 317
13.2 Production of Syngas 319
13.3 Electroreduction of CO2/Water Mixtures to Syngas 320
13.3.1 Effect of Cell Configuration and Chemical Environment 321
13.3.2 Effect of the Cathode Composition and Structure 324
13.3.3 Effect of the Reaction Parameters 327
13.3.4 Electrochemical Promotion of Catalyst (EPOC) for CO2 Hydrogenation 328
13.4 Conclusions 329
Acknowledgments 330
References 330
14 Recent Progress on Catalyst Development for CO2 Conversion into Value-Added Chemicals by Photo- and Electroreduction 335
Luqman Atanda, Mohammad A. Wahab, and Jorge Beltramini
14.1 Introduction 335
14.2 CO2 Catalytic Conversion by Photoreduction 336
14.2.1 Principle of CO2 Photothermal Reduction 337
14.2.2 Catalyst Development for CO2 Photothermal Reduction 339
14.3 CO2 Catalytic Conversion by Electroreduction 346
14.3.1 Principle of CO2 Electrocatalytic Reduction 347
14.3.2 Catalysts Development for CO2 Electroreduction 349
References 357
15 Yolk@Shell Materials for CO2 Conversion: Chemical and Photochemical Applications 361
Cameron Alexander Hurd Price, Laura Pastor-Perez, Tomas Ramirez-Reina, and Jian Liu
15.1 Overview 361
15.2 Key Benefits of Hierarchical Morphology 363
15.2.1 Confinement Effects 363
15.3 Materials for Chemical CO2 Recycling Reactions 366
15.3.1 CO2 Utilization Reactions 366
15.3.2 Photochemical Reactions with CO2 368
15.3.2.1 Principles of Photocatalysis 368
15.3.2.2 Prominent Materials 369
15.3.2.3 Benefits of YS in Photocatalysis 369
15.4 Synthesis Techniques for CS/YS: A Brief Overview 372
15.4.1 Soft Templating Techniques 373
15.4.2 Hard Templating Techniques 374
15.4.2.1 Metal Oxide/Carbide Shells 375
15.5 Future Advancement 375
References 376
16 Aliphatic Polycarbonates Derived from Epoxides and CO2 385
Sebastian Kernbichl and Bernhard Rieger
16.1 Introduction 385
16.2 Aliphatic Polycarbonates 386
16.2.1 Synthesis of the Monomers 386
16.2.2 Mechanistic Aspects of the Copolymerization of Epoxides and CO2 387
16.2.3 Thermal Stability and Possible Degradation Pathways 389
16.2.4 Mechanical Properties 390
16.3 Catalyst Systems for the CO2/Epoxide Copolymerization 392
16.3.1 Heterogeneous Catalysts 393
16.3.2 Overview of the Homogeneous Catalytic Systems 393
16.3.3 Terpolymerization Pathways 398
16.3.4 Limonene Oxide: Recent Advances in Catalysis and Mechanism Elucidation 399
16.4 Conclusion 402
References 402
17 Metal-Organic Frameworks (MOFs) for CO2 Cycloaddition Reactions 407
Ignacio Campello, Antonio Sepulveda-Escribano, and Enrique V. Ramos-Fernandez
17.1 Introduction to MOF 407
17.2 MOFs as Catalysts 407
17.2.1 Active Sites in MOFs: Lewis Acid Sites 409
17.2.1.1 Historical Overview 409
17.2.1.2 Tunability of the Lewis Acid Sites 411
17.2.1.3 Active Sites in MOFs: Lewis Basic Sites 413
17.3 CO2 Cycloadditions 414
17.3.1 Reaction Mechanism 414
17.3.2 CO2 Cycloadditions Reactions Catalyzed by Lewis Acid MOFs 415
17.3.3 CO2 Cycloaddition Reactions Catalyzed by Lewis Acid and Basic MOFs 416
17.3.4 Defective MOFs for CO2 Cycloaddition Reactions 416
17.3.5 MOFs Having Functional Linkers for CO2 Cycloaddition Reactions 419
17.4 Oxidative Carboxylation 420
References 420
18 Plasma-Assisted Conversion of CO2 429
Kevin H. R. Rouwenhorst, Gerard J. van Rooij, and Leon Lefferts
18.1 Introduction 429
18.1.1 What Is a Plasma? 430
18.1.2 History 430
18.1.3 Electrification 431
18.1.4 Thermodynamics 431
18.1.5 Homogeneous Plasma Activation of CO2 432
18.1.6 Mechanisms 433
18.1.7 Plasma Reactors 435
18.1.8 Performance in Various Plasma Reactors 436
18.2 Plasma-catalytic CO2 Conversion 437
18.2.1 Introduction 437
18.2.2 Mutual Influence of Plasma and Catalyst 439
18.2.3 Catalyst Development 440
18.2.4 Experimental Performance 442
18.2.4.1 CO2 Dissociation 443
18.2.4.2 Dry Reforming of Methane 444
18.2.4.3 CO2 Hydrogenation 446
18.2.4.4 Artificial Photosynthesis 447
18.3 Perspective 448
18.3.1 Models Describing Plasma Catalysis 448
18.3.2 Scale-Up and Process Considerations 449
18.4 Conclusion 450
References 451
Index 463
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Monica Garcia, Theo Chronopoulos, and Ruben M. Montanes
1.1 Introduction: The Role of Carbon Capture 1
1.2 CO2 Capture Technologies 2
1.2.1 Status of CO2 Capture Deployment 2
1.2.2 Pre-combustion 2
1.2.3 Oxyfuel 3
1.2.4 Post-combustion 3
1.2.4.1 Adsorption 4
1.2.4.2 High-Temperature Solids Looping Technologies 7
1.2.4.3 Membranes 8
1.2.4.4 Chemical Absorption 9
1.2.5 Others CO2 Capture/Separation Technologies 13
1.2.5.1 Fuel Cells 13
1.3 Integration of Post-combustion CO2 Capture in the Power Plant and Electricity Grid 17
1.3.1 Integration of the Capture Unit in the Thermal Power Plant 17
1.3.2 Flexible Operation of Thermal Power Plants in Future Energy Systems 20
1.4 CO2 Capture in the Industrial Sector 21
1.5 Conclusions 22
References 24
2 Advancing CCSU Technologies with Computational Fluid Dynamics (CFD): A Look at the Future by Linking CFD and Process Simulations 29
Daniel Sebastia-Saez, Evgenia Mechleri, and Harvey Arellano-Garcia
2.1 Sweep Across the General Simulation Techniques Available 29
2.2 Multi-scale Approach for CFD Simulation of Amine Scrubbers 32
2.3 Eulerian, Eulerian-Lagrangian, and Discrete Element Methods for the Simulation of Calcium Looping, Mineral Carbonation, and Adsorption in Other Solid Particulate Materials 38
2.4 CFD for Oxy-fuel Combustion Technologies: The Application of Single-Phase Reactive Flows and Particle Tracking Algorithms 41
2.5 CFD for Carbon Storage and Enhanced Oil Recovery (EOR): The Link Between Advanced Imaging Techniques and CFD 41
2.6 CFD for Carbon Utilization with Chemical Conversion: The Importance of Numerical Techniques on the Study of New Catalysts 44
2.7 CFD for Biological Utilization: Microalgae Cultivation 46
2.8 What Does the Future Hold? 47
References 49
3 Membranes Technologies for Efficient CO2 Capture-Conversion 55
Sonia Remiro-Buenamanana, Laura Navarrete, Julio Garcia-Fayos, Sara Escorihuela, Sonia Escolastico, and Jose M. Serra
3.1 Introduction 55
3.2 Polymer Membranes 56
3.3 Oxygen Transport Membranes for CO2 Valorization 60
3.3.1 Oxygen Transport Membrane Fundamentals 61
3.3.2 Application Concepts of OTMs for Carbon Capture and Storage (CCS) 63
3.3.3 Existing Developments 63
3.4 Protonic Membranes 65
3.4.1 Proton Defects in Oxide Ceramics 65
3.4.2 Proton Transport Membrane Fundamentals 67
3.4.3 Application Concepts of Proton Conducting Membranes 68
3.5 Membranes for Electrochemical Applications 69
3.5.1 Electrolysis and Co-electrolysis Processes 69
3.5.1.1 Water Electrolysis 70
3.5.1.2 CO2 Co-electrolysis 73
3.5.2 Synthesis Gas Chemistry 75
3.5.3 Other Applications 76
3.5.3.1 Methane Steam Reforming 76
3.5.3.2 Methane Dehydroaromatization 78
3.6 Conclusions and Final Remarks 78
References 79
4 Computational Modeling of Carbon Dioxide Catalytic Conversion 85
Javier Amaya Suarez, Elena R. Remesal, Jose J. Plata, Antonio M. Marquez, and Javier Fernandez Sanz
4.1 Introduction 85
4.2 General Methods for Theoretical Catalysis Research 85
4.3 Characterizing the Catalyst and Its Interaction with CO2 Using DFT Calculations 87
4.4 Microkinetic Modeling in Heterogeneous Catalysis 89
4.5 New Trends: High-Throughput Screening, Volcano Plots, and Machine Learning 92
4.5.1 High-Throughput Screening 92
4.5.2 Volcano Plots and Scaling Relations 93
4.5.3 DFT and Machine Learning 93
4.5.3.1 Machine-Learned Potentials 95
4.5.3.2 Descriptors to Predict Catalytic Properties 95
4.5.3.3 Future Challenges in HT-DFT Applied to Catalysis 96
References 97
5 An Overview of the Transition to a Carbon-Neutral Steel Industry 105
Juan C. Navarro, Pablo Navarro, Oscar H. Laguna, Miguel A. Centeno, and Jose A. Odriozola
5.1 Introduction 105
5.2 Global Relevance of the Steel Industry 106
5.2.1 Features that Make Steel a Special Material 107
5.3 Current Trends in Emission Policies in theWorld's Leading Countries in Steel Industry 109
5.4 Transition to a Carbon-Neutral Production. A Big Challenge for the Steel Industry 110
5.4.1 Urea 113
5.4.2 Methanol and Formic Acid 114
5.4.3 Carbon Monoxide 114
5.4.4 Methane 114
5.5 CO2 Methanation: An Interesting Opportunity for the Valorization of the Steel Industry Emissions 114
5.6 Relevant Projects Already Launched for the Valorization of the CO2 Emitted by the Steel Industry 116
5.7 Concluding Remarks 119
References 120
6 Potential Processes for Simultaneous Biogas Upgrading and Carbon Dioxide Utilization 125
Francisco M. Baena-Moreno, Monica Rodriguez-Galan, Fernando Vega, Isabel Malico, and Benito Navarrete
6.1 Introduction 125
6.2 Overview of Biogas General Characteristics and Upgrading Technologies to Bio-methane Production 127
6.2.1 Biogas Composition and Applications 127
6.2.2 Biogas Upgrading Processes 127
6.2.2.1 Water Scrubbing 129
6.2.2.2 Pressure Swing Adsorption 129
6.2.2.3 Chemical Scrubbing 129
6.2.2.4 Organic Physical Scrubbing 129
6.2.2.5 Membrane Separation 129
6.2.2.6 Cryogenic Separation 130
6.3 CCU Main Technologies 131
6.3.1 Supercritical CO2 as a Solvent 131
6.3.2 Chemicals from CO2 132
6.3.3 Mineral Carbonation 132
6.3.4 Fuels from CO2 133
6.3.5 Algae Production 133
6.3.6 Enhanced Oil Recovery (EOR) 133
6.4 Potential Processes for Biogas Upgrading and Carbon Utilization 133
6.4.1 Chemical Scrubbing Coupled with CCU 134
6.4.2 Membrane Separation Coupled with CCU 135
6.4.3 Cryogenic Separation Coupled with CCU 136
6.5 Conclusions 138
References 139
7 Biogas Sweetening Technologies 145
Nikolaos D. Charisiou, Savvas L. Douvartzides, and Maria A. Goula
7.1 Introduction 145
7.2 Biogas Purification Technologies 146
7.2.1 Removal ofWater Vapor (H2O(g)) 146
7.2.2 Removal of Hydrogen Sulfide (H2S) and Other Sulfur-Containing Compounds 148
7.2.2.1 In Situ Precipitation of H2S Through Air/Oxygen Injection 148
7.2.2.2 In Situ Precipitation of H2S Through Iron Chloride/Oxide Injection 148
7.2.2.3 Adsorption by Activated Carbon 149
7.2.2.4 Zeolite-Based Sieve (Molecular Sieve) 150
7.2.2.5 Water Scrubbing 150
7.2.2.6 Organic Solvent Scrubbing 151
7.2.2.7 Sodium Hydroxide Scrubbing 151
7.2.2.8 Chemical Adsorption via Iron Oxide or Hydroxide (Iron Sponge) 152
7.2.2.9 Biological Filters 152
7.2.3 Removal of Siloxanes 153
7.2.3.1 Organic Solvent Scrubbing 154
7.2.3.2 Adsorption on Activated Carbon, Molecular Sieves, and Silica Gel 154
7.2.3.3 Membrane Separation 155
7.2.3.4 Biological Filters 156
7.2.3.5 Cryogenic Condensation 156
7.2.4 Removal of Volatile Organic Compound (VOCs) 156
7.2.5 Removal of Ammonia (NH3) 156
7.2.6 Removal of Oxygen (O2) and Nitrogen (N2) 157
7.3 Biogas Upgrading Technologies 157
7.3.1 Water Scrubbing 157
7.3.2 Organic Solvent Scrubbing 160
7.3.3 Chemical Scrubbing 160
7.3.4 Pressure Swing Adsorption 162
7.3.5 Polymeric Membranes 163
7.3.6 Cryogenic Treatment 165
7.4 Conclusions 166
References 166
8 CO2 Conversion to Value-Added Gas-Phase Products: Technology Overview and Catalysts Selection 175
Qi Zhang, Laura Pastor-Perez, Xiangping Zhang, Sai Gu, and Tomas R Reina
8.1 Chapter Overview 175
8.2 CO2 Methanation 176
8.2.1 Background 176
8.2.2 Fundamentals 177
8.2.3 Catalysts 178
8.2.3.1 Ruthenium-Based Catalysts 178
8.2.3.2 Nickel-Based Catalysts 179
8.2.3.3 Rhodium and Palladium-Based Catalysts 182
8.3 RWGS Reaction 183
8.3.1 Background 183
8.3.2 Fundamentals 184
8.3.3 Catalysts 184
8.3.3.1 Noble Metal-Based Catalysts 185
8.3.3.2 Copper-Based Catalysts 185
8.3.3.3 Ceria-Based Support Catalysts 186
8.3.3.4 Carbide Support Catalysts 187
8.4 CO2 Reforming Reactions 188
8.4.1 Background 188
8.4.2 Fundamentals 189
8.4.3 Catalysts 190
8.4.3.1 Noble Metal-Based Catalysts 190
8.4.3.2 Ni-Based Catalysts 191
8.4.3.3 Catalytic Supports 193
8.5 Conclusions and Final Remarks 195
References 195
9 CO2 Utilization Enabled by Microchannel Reactors 205
Luis F. Bobadilla, Lola Azancot, and Jose A. Odriozola
9.1 Introduction 205
9.2 Transport Phenomena and Heat Exchange in Microchannel Reactors 207
9.2.1 Microfluidics and Mixing Flow 208
9.2.2 Heat Exchange and Temperature Control 210
9.3 Application of Microreactors in CO2 Capture, Storage, and Utilization Processes 212
9.3.1 CO2 Capture and Storage (CCS) 212
9.3.2 CO2 as a Feedstock for Producing Valuable Commodity Chemicals 214
9.3.2.1 Methanation of Carbon Dioxide (Sabatier Reaction) 214
9.3.2.2 CO2-to-Methanol and Dimethyl Ether (DME) Transformation 217
9.3.2.3 CO2-to-Higher Hydrocarbons and Fuels 218
9.3.2.4 Production of Cyclic Organic Carbonates 219
9.4 Concluding Remarks and Future Perspectives 221
References 221
10 Analysis of High-Pressure Conditions in CO2 Hydrogenation Processes 227
Andrea Alvarez Moreno, Esmeralda Portillo, and Oscar Hernando Laguna
10.1 Introduction 227
10.2 Thermodynamic Aspects 229
10.2.1 Le Chatelier Principle as a SimpleWay to Understand the Effect of Pressure in Chemical Reactions 230
10.2.2 Equilibrium Composition Calculations of High-Pressure Gas Reactions Based on the Computerized Gibbs Energy Minimization 232
10.3 Overview of Some Industrial Approaches Focused on the Production of Valuable Compounds form CO2 Using a Carbon Capture and Utilization (CCU) Approach 234
10.3.1 Industrial Production of Methanol 235
10.3.2 Production of Methane 237
10.4 Techno-Economic Considerations for the Methanol Production from a CCU Approach with the Use of High Pressure 238
10.5 Concluding Remarks 248
References 248
11 Sabatier-Based Direct Synthesis of Methane and Methanol Using CO2 from Industrial Gas Mixtures 253
K. Muller, J. Israel, F. Rachow, and D. Schmeisser
11.1 Overview 253
11.2 Methane Synthesis of Gas Mixtures 255
11.2.1 Thermodynamics of Methane Conversion 255
11.2.2 Experimental Setup, General Definitions, and Catalysts 256
11.2.3 Industrial Gas Mixtures 258
11.3 Applications 260
11.3.1 APP-01: Combustion Plant Flue Gas 260
11.3.2 APP-02: Coke Oven Gas (COG) 264
11.3.3 APP-03: Saline Aquifer Back-Produced CO2 267
11.3.4 APP-04: Biogenic CO2 Sources 268
11.3.5 APP-05: Oxyfuel Operation in Gas Engines 269
11.3.6 APP-06: Reusage of CH4 Product Gas Mixtures 270
11.4 Methanol Synthesis 274
Acknowledgments 277
References 277
12 Survey of Heterogeneous Catalysts for the CO2 Reduction to CO via Reverse Water Gas Shift 281
Thomas Mathew, Simi Saju, and Shiju N. Raveendran
12.1 Introduction 281
12.2 RWGS Catalysts 281
12.2.1 Supported Metal Catalysts 282
12.2.1.1 Au-Based Catalysts 282
12.2.1.2 Pt-Based Catalysts 286
12.2.1.3 Rh-Based Catalysts 286
12.2.1.4 Ru-Based Catalysts 288
12.2.1.5 Pd- and Ir-Based Catalysts 289
12.2.1.6 Cu-Based Catalysts 290
12.2.1.7 Ni-Based Catalysts 295
12.2.2 Oxide Systems 298
12.2.3 Transition Metal Carbides 300
12.3 Mechanism of RWGS Reaction 306
References 307
13 Electrocatalytic Conversion of CO2 to Syngas 317
Manuel Antonio Diaz-Perez, A. de Lucas Consuegra, and Juan Carlos Serrano-Ruiz
13.1 Introduction 317
13.2 Production of Syngas 319
13.3 Electroreduction of CO2/Water Mixtures to Syngas 320
13.3.1 Effect of Cell Configuration and Chemical Environment 321
13.3.2 Effect of the Cathode Composition and Structure 324
13.3.3 Effect of the Reaction Parameters 327
13.3.4 Electrochemical Promotion of Catalyst (EPOC) for CO2 Hydrogenation 328
13.4 Conclusions 329
Acknowledgments 330
References 330
14 Recent Progress on Catalyst Development for CO2 Conversion into Value-Added Chemicals by Photo- and Electroreduction 335
Luqman Atanda, Mohammad A. Wahab, and Jorge Beltramini
14.1 Introduction 335
14.2 CO2 Catalytic Conversion by Photoreduction 336
14.2.1 Principle of CO2 Photothermal Reduction 337
14.2.2 Catalyst Development for CO2 Photothermal Reduction 339
14.3 CO2 Catalytic Conversion by Electroreduction 346
14.3.1 Principle of CO2 Electrocatalytic Reduction 347
14.3.2 Catalysts Development for CO2 Electroreduction 349
References 357
15 Yolk@Shell Materials for CO2 Conversion: Chemical and Photochemical Applications 361
Cameron Alexander Hurd Price, Laura Pastor-Perez, Tomas Ramirez-Reina, and Jian Liu
15.1 Overview 361
15.2 Key Benefits of Hierarchical Morphology 363
15.2.1 Confinement Effects 363
15.3 Materials for Chemical CO2 Recycling Reactions 366
15.3.1 CO2 Utilization Reactions 366
15.3.2 Photochemical Reactions with CO2 368
15.3.2.1 Principles of Photocatalysis 368
15.3.2.2 Prominent Materials 369
15.3.2.3 Benefits of YS in Photocatalysis 369
15.4 Synthesis Techniques for CS/YS: A Brief Overview 372
15.4.1 Soft Templating Techniques 373
15.4.2 Hard Templating Techniques 374
15.4.2.1 Metal Oxide/Carbide Shells 375
15.5 Future Advancement 375
References 376
16 Aliphatic Polycarbonates Derived from Epoxides and CO2 385
Sebastian Kernbichl and Bernhard Rieger
16.1 Introduction 385
16.2 Aliphatic Polycarbonates 386
16.2.1 Synthesis of the Monomers 386
16.2.2 Mechanistic Aspects of the Copolymerization of Epoxides and CO2 387
16.2.3 Thermal Stability and Possible Degradation Pathways 389
16.2.4 Mechanical Properties 390
16.3 Catalyst Systems for the CO2/Epoxide Copolymerization 392
16.3.1 Heterogeneous Catalysts 393
16.3.2 Overview of the Homogeneous Catalytic Systems 393
16.3.3 Terpolymerization Pathways 398
16.3.4 Limonene Oxide: Recent Advances in Catalysis and Mechanism Elucidation 399
16.4 Conclusion 402
References 402
17 Metal-Organic Frameworks (MOFs) for CO2 Cycloaddition Reactions 407
Ignacio Campello, Antonio Sepulveda-Escribano, and Enrique V. Ramos-Fernandez
17.1 Introduction to MOF 407
17.2 MOFs as Catalysts 407
17.2.1 Active Sites in MOFs: Lewis Acid Sites 409
17.2.1.1 Historical Overview 409
17.2.1.2 Tunability of the Lewis Acid Sites 411
17.2.1.3 Active Sites in MOFs: Lewis Basic Sites 413
17.3 CO2 Cycloadditions 414
17.3.1 Reaction Mechanism 414
17.3.2 CO2 Cycloadditions Reactions Catalyzed by Lewis Acid MOFs 415
17.3.3 CO2 Cycloaddition Reactions Catalyzed by Lewis Acid and Basic MOFs 416
17.3.4 Defective MOFs for CO2 Cycloaddition Reactions 416
17.3.5 MOFs Having Functional Linkers for CO2 Cycloaddition Reactions 419
17.4 Oxidative Carboxylation 420
References 420
18 Plasma-Assisted Conversion of CO2 429
Kevin H. R. Rouwenhorst, Gerard J. van Rooij, and Leon Lefferts
18.1 Introduction 429
18.1.1 What Is a Plasma? 430
18.1.2 History 430
18.1.3 Electrification 431
18.1.4 Thermodynamics 431
18.1.5 Homogeneous Plasma Activation of CO2 432
18.1.6 Mechanisms 433
18.1.7 Plasma Reactors 435
18.1.8 Performance in Various Plasma Reactors 436
18.2 Plasma-catalytic CO2 Conversion 437
18.2.1 Introduction 437
18.2.2 Mutual Influence of Plasma and Catalyst 439
18.2.3 Catalyst Development 440
18.2.4 Experimental Performance 442
18.2.4.1 CO2 Dissociation 443
18.2.4.2 Dry Reforming of Methane 444
18.2.4.3 CO2 Hydrogenation 446
18.2.4.4 Artificial Photosynthesis 447
18.3 Perspective 448
18.3.1 Models Describing Plasma Catalysis 448
18.3.2 Scale-Up and Process Considerations 449
18.4 Conclusion 450
References 451
Index 463
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About Tomas Ramirez Reina
Tomas R. Reina, PhD, is a Senior Lecturer in Chemical Engineering and Head of the Catalysis Unit at the University of Surrey, UK.
Jose A. Odriozola, PhD, is Chair of Inorganic Chemistry of the University of Sevilla, Spain.
Harvey Arellano-Garcia, PhD, is Director of Research and Professor of Energy and Chemical Engineering at the Department of Process and Plant Technology at BTU-Cottbus, Germany and Chair of Process and Systems Engineering at the Brandenburg University of Technology in Germany.
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Jose A. Odriozola, PhD, is Chair of Inorganic Chemistry of the University of Sevilla, Spain.
Harvey Arellano-Garcia, PhD, is Director of Research and Professor of Energy and Chemical Engineering at the Department of Process and Plant Technology at BTU-Cottbus, Germany and Chair of Process and Systems Engineering at the Brandenburg University of Technology in Germany.
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