Chapter
1.2.3 Experimental Breakthrough
1.2.4 In Situ Characterization
1.3 MOFs for Post-combustion Capture
1.3.1 Necessary Framework Properties for CO2 Capture
1.3.2 Assessing MOFs for CO2/N2 Separations
1.3.3 MOFs with Open Metal Coordination Sites (OMCs)
1.3.4 MOFs Containing Lewis Basic Sites
1.3.5 Stability and Competitive Binding in the Presence of H2O
1.4 MOFs for Pre-combustion Capture
1.4.1 Advantages of Pre-combustion Capture
1.4.2 Necessary Framework Properties for CO2 Capture
1.4.3 Potential MOF Candidates for CO2/H2 Separations
1.5 MOFs for Oxy-Fuel Combustion Capture
1.5.1 Necessary Framework Properties for O2/N2 Separations
1.5.2 Biological Inspiration for O2/N2 Separations in MOFs
1.5.3 Potential MOF Candidates for O2/N2 Separations
1.6 Future Perspectives and Outlook
2 METAL–ORGANIC FRAMEWORKS MATERIALS FOR POST-COMBUSTION CO2 CAPTURE
2.1 Introduction: The Importance of Carbon Capture and Storage Technologies
2.1.1 Post-combustion CO2 Capture Technologies
2.1.2 Metal–Organic Frameworks: Potential for Post-combustion CCS
2.2 Metal–Organic Frameworks as Sorbents
2.2.1 Criteria for Choosing the Best CO2 Sorbent
2.2.2 Discussion of Defined Sorbent Criteria
2.3 Metal–Organic Framework Membranes for CCS
2.3.1 Membrane Performance Defined
2.3.2 MOF Membrane Fabrication
3 NEW PROGRESS OF MICROPOROUS METAL–ORGANIC FRAMEWORKS IN CO2 CAPTURE AND SEPARATION
3.2 Survey of Typical MOF Adsorbents
3.2.1 CO2 Capture and Separation at Low Pressure
3.2.2 CO2 Capture and Separation at High Pressure
3.2.3 Capture CO2 Directly from Air
3.2.5 CO2/C2H2 Separation
3.2.6 Photocatalytic and Electrochemical Reduction of CO2
3.3 Zeolite Adsorbents in Comparison with MOFs
3.4 MOFs Membrane for CCS
4 IN SITU DIFFRACTION STUDIES OF SELECTED METAL–ORGANIC FRAMEWORK MATERIALS FOR GUEST CAPTURE/EXCHANGE APPLICATIONS
4.1.2 In Situ Diffraction Characterization
4.2 Apparatus for In Situ Diffraction Studies
4.2.1 Single-Crystal Diffraction Applications
4.2.2 Powder Diffraction Applications
4.3 In Situ Single-Crystal Diffraction Studies of MOFs
4.3.1 Thermally Induced Reversible Single Crystal-to-Single Crystal Transformation
4.3.2 Structure Transformation Induced by Presence of Guests
4.3.3 Dynamic CO2 Adsorption Behavior
4.3.4 Unstable Intermediate Stage During Guest Exchange
4.3.5 Mechanism of CO2 Adsorption
4.4 Powder Diffraction Studies of MOFs
4.4.1 Synchrotron/Neutron Diffraction Studies
4.4.2 Laboratory X-ray Diffraction Studies
5 ELECTROCHEMICAL CO2 CAPTURE AND CONVERSION
5.2 Current Electrochemical Methods for Carbon Capture and Conversion
5.2.1 Ambient-Temperature Approach
5.2.2 High-Temperature Approach
5.3 Development of High-Temperature Permeation Membranes for Electrochemical CO2 Capture and Conversion
5.3.1 Development of MECC Membranes
5.3.2 Development of MOCC Membranes
6 ELECTROCHEMICAL VALORIZATION OF CARBON DIOXIDE IN MOLTEN SALTS
6.2 Thermodynamic Analysis of Molten Salt Electrolytes
6.2.1 Thermodynamic Analysis of Alkali Metal Carbonates
6.2.2 Thermodynamic Analysis of Alkaline-Earth Metal Carbonates
6.2.3 Thermodynamic Viewpoint of Variables Affecting Electrolytic Products
6.2.4 Thermodynamic Analysis of Mixed Melts
6.3 Electrochemistry of Cathode and Anode
6.3.1 Electrochemical Reactions at the Cathode
6.3.2 Electrochemical Reaction Pathway of CO2 and CO3 2- (C or CO?)
6.3.3 Electrochemical Reaction at the Anode
6.4 Applications of Electrolytic Products
6.5 Conclusion and Prospects
7 MICROSTRUCTURAL AND STRUCTURAL CHARACTERIZATION OF MATERIALS FOR CO2 STORAGE USING MULTI-SCALE X-RAY SCATTERING METHODS
7.2 Experimental Investigations of Subsurface CO2 Trapping Mechanisms
7.3 Comparison of Material Measurements Techniques for Microstructure Characterization
7.4 Usaxs/Saxs Instrumentation
7.5 Analyses of Ultrasmall- and Small-Angle Scattering Data
7.5.1 Determination of the Volume Fractions, Mean Volumes, and Radius of Gyration Using Guinier Approximation and Scattering Invariant
7.5.2 Determination of the Surface Area from the Porod Scattering Regime
7.5.3 Shapes and Size Distributions
7.5.4 Fractal Morphologies
7.6 USAXS/SAXS/WAXS Characterization of CO2 Interactions with Na-Montmorillonite
7.6.1 Experimental Methods
7.6.2 Results and Discussion
8 CONTRIBUTION OF DENSITY FUNCTIONAL THEORY TO MICROPOROUS MATERIALS FOR CARBON CAPTURE
8.1.1 Oxide Molecular Sieves
8.2.1 Local Density Approximation
8.2.2 General Gradient Approximation
8.2.6 Van der Waals (Dispersion) Forces
8.3.1 CO2 Location and Binding Energetics
8.3.7 Ab Initio Molecular Dynamics
8.4 Conclusions and Recommendations
9 COMPUTATIONAL MODELING STUDY OF MnO2 OCTAHEDRAL MOLECULAR SIEVES FOR CARBON DIOXIDE–CAPTURE APPLICATIONS
9.2 Atomic Structure Versus Magnetic Ordering
9.3 Pore Size and Dimensionality
9.4 CO2 Sorption Behavior
9.4.1 Experimental Observations
9.5 Comparison of Cation Dopant Types
9.5.1 Cation Effects on CO2 Sorption in OMS-2
Materials and Processes for CO2 Capture, Conversion, and Sequestration
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