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Engineering Solutions for CO2 Conversion. Edition No. 1

  • ID: 5178898
  • Book
  • March 2021
  • 496 Pages
  • John Wiley and Sons Ltd
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.
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1 CO2 Capture – A Brief Review of Technologies and Its Integration 1
Mónica García, Theo Chronopoulos, and Rubén M. Montañés

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-García

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-Buenamañana, Laura Navarrete, Julio Garcia-Fayos, Sara Escorihuela, Sonia Escolastico, and José 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 Suárez, Elena R. Remesal, Jose J. Plata, Antonio M. Márquez, and Javier Fernández 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 José 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, Mónica Rodríguez-Galán, 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-Pérez, 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 José 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 Álvarez 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. Müller, 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 Díaz-Pérez, 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-Pérez, 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 Sepúlveda-Escribano, and Enrique V. Ramos-Fernández

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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Tomas Ramirez Reina Jose A. Odriozola Harvey Arellano-Garcia
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