Preface |
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xi | |
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xiii | |
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1 Carbon Capture In Metal-Organic Frameworks |
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1 | (78) |
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1 | (10) |
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1.1.1 The Importance of Carbon Dioxide Capture |
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1 | (2) |
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1.1.2 Conventional Industrial Process of Carbon Capture and Limitations: Liquid Amines |
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3 | (1) |
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1.1.3 Metal-Organic Frameworks and Their Synthesis |
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4 | (2) |
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1.1.4 CCS Technologies and MOF Requirements |
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6 | (4) |
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10 | (1) |
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1.2 Understanding the Adsorption Properties of MOFs |
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11 | (19) |
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1.2.1 Single-Component Isotherms |
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11 | (3) |
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1.2.2 Multicomponent Adsorption |
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14 | (1) |
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1.2.3 Experimental Breakthrough |
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15 | (1) |
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1.2.4 In Situ Characterization |
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16 | (14) |
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1.3 MOFs for Post-combustion Capture |
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30 | (18) |
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1.3.1 Necessary Framework Properties for CO2 Capture |
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30 | (2) |
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1.3.2 Assessing MOFs for CO2/N2 Separations |
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32 | (2) |
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1.3.3 MOFs with Open Metal Coordination Sites (OMCs) |
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34 | (3) |
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1.3.4 MOFs Containing Lewis Basic Sites |
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37 | (8) |
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1.3.5 Stability and Competitive Binding in the Presence of H2O |
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45 | (3) |
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1.4 MOFs for Pre-combustion Capture |
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48 | (6) |
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1.4.1 Advantages of Pre-combustion Capture |
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48 | (1) |
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1.4.2 Necessary Framework Properties for CO2 Capture |
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49 | (1) |
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1.4.3 Potential MOF Candidates for CO2/H2 Separations |
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50 | (4) |
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1.5 MOFs for Oxy-Fuel Combustion Capture |
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54 | (7) |
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1.5.1 Necessary Framework Properties for O2/N2 Separations |
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54 | (1) |
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1.5.2 Biological Inspiration for O2/N2 Separations in MOFs |
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55 | (1) |
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1.5.3 Potential MOF Candidates for O2/N2 Separations |
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56 | (5) |
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1.6 Future Perspectives and Outlook |
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61 | (18) |
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63 | (1) |
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63 | (16) |
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2 Metal-Organic Frameworks Materials for Post-Combustion Co2 Capture |
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79 | (33) |
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2.1 Introduction: The Importance of Carbon Capture and Storage Technologies |
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79 | (5) |
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2.1.1 Post-combustion CO2 Capture Technologies |
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80 | (2) |
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2.1.2 Metal---Organic Frameworks: Potential for Post-combustion CCS |
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82 | (2) |
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2.2 Metal-Organic Frameworks as Sorbents |
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84 | (15) |
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2.2.1 Criteria for Choosing the Best CO2 Sorbent |
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84 | (3) |
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2.2.2 Discussion of Defined Sorbent Criteria |
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87 | (12) |
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2.3 Metal---Organic Framework Membranes for CCS |
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99 | (5) |
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2.3.1 Membrane Performance Defined |
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99 | (3) |
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2.3.2 MOF Membrane Fabrication |
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102 | (2) |
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104 | (8) |
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104 | (8) |
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3 New Progress of Microporous Metal-Organic Frameworks In Co2 Capture and Separation |
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112 | (68) |
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112 | (4) |
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3.2 Survey of Typical MOF Adsorbents |
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116 | (42) |
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3.2.1 CO2 Capture and Separation at Low Pressure |
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116 | (23) |
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3.2.2 CO2 Capture and Separation at High Pressure |
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139 | (1) |
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3.2.3 Capture CO2 Directly from Air |
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140 | (5) |
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145 | (3) |
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3.2.5 CO2/C2 H2 Separation |
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148 | (1) |
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3.2.6 Photocatalytic and Electrochemical Reduction of CO2 |
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149 | (3) |
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152 | (6) |
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3.3 Zeolite Adsorbents in Comparison with MOFs |
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158 | (5) |
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3.4 MOFs Membrane for CCS |
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163 | (2) |
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165 | (15) |
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166 | (1) |
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167 | (13) |
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4 In Situ Diffraction Studies of Selected Metal-Organic Framework Materials for Guest Capture/Exchange Applications |
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180 | (33) |
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180 | (2) |
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180 | (1) |
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4.1.2 In Situ Diffraction Characterization |
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181 | (1) |
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4.2 Apparatus for In Situ Diffraction Studies |
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182 | (4) |
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4.2.1 Single-Crystal Diffraction Applications |
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182 | (3) |
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4.2.2 Powder Diffraction Applications |
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185 | (1) |
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4.3 In Situ Single-Crystal Diffraction Studies of MOFs |
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186 | (7) |
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4.3.1 Thermally Induced Reversible Single Crystal-to-Single Crystal Transformation |
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187 | (1) |
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4.3.2 Structure Transformation Induced by Presence of Guests |
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188 | (2) |
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4.3.3 Dynamic CO2 Adsorption Behavior |
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190 | (1) |
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4.3.4 Unstable Intermediate Stage During Guest Exchange |
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190 | (2) |
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4.3.5 Mechanism of CO2 Adsorption |
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192 | (1) |
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4.4 Powder Diffraction Studies of MOFs |
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193 | (14) |
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4.4.1 Synchrotron/Neutron Diffraction Studies |
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193 | (11) |
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4.4.2 Laboratory X-ray Diffraction Studies |
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204 | (3) |
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207 | (6) |
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207 | (6) |
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5 Electrochemical CO2 Capture and Conversion |
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213 | (54) |
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213 | (1) |
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5.2 Current Electrochemical Methods for Carbon Capture and Conversion |
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214 | (10) |
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5.2.1 Ambient-Temperature Approach |
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215 | (3) |
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5.2.2 High-Temperature Approach |
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218 | (6) |
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5.3 Development of High-Temperature Permeation Membranes for Electrochemical CO2 Capture and Conversion |
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224 | (31) |
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5.3.1 Development of MECC Membranes |
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224 | (11) |
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5.3.2 Development of MOCC Membranes |
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235 | (20) |
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255 | (12) |
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258 | (1) |
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258 | (9) |
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6 Electrochemical Valorization of Carbon Dioxide In Molten Salts |
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267 | (29) |
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267 | (2) |
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6.2 Thermodynamic Analysis of Molten Salt Electrolytes |
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269 | (13) |
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6.2.1 Thermodynamic Analysis of Alkali Metal Carbonates |
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269 | (6) |
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6.2.2 Thermodynamic Analysis of Alkaline-Earth Metal Carbonates |
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275 | (2) |
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6.2.3 Thermodynamic Viewpoint of Variables Affecting Electrolytic Products |
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277 | (1) |
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6.2.4 Thermodynamic Analysis of Mixed Melts |
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278 | (4) |
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6.3 Electrochemistry of Cathode and Anode |
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282 | (7) |
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6.3.1 Electrochemical Reactions at the Cathode |
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282 | (3) |
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6.3.2 Electrochemical Reaction Pathway of CO2 and CO32-(C or CO?) |
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285 | (2) |
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6.3.3 Electrochemical Reaction at the Anode |
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287 | (2) |
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6.4 Applications of Electrolytic Products |
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289 | (1) |
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6.5 Conclusion and Prospects |
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289 | (7) |
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292 | (1) |
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292 | (4) |
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7 Microstructural and Structural Characterization of Materials for Co2 Storage Using Multi-Scale X-Ray Scattering Methods |
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296 | (23) |
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296 | (2) |
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7.2 Experimental Investigations of Subsurface CO2 Trapping Mechanisms |
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298 | (2) |
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7.3 Comparison of Material Measurements Techniques for Microstructure Characterization |
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300 | (2) |
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7.4 Usaxs/Saxs Instrumentation |
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302 | (2) |
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7.5 Analyses of Ultrasmall- and Small-Angle Scattering Data |
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304 | (3) |
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7.5.1 Determination of the Volume Fractions, Mean Volumes, and Radius of Gyration Using Guinier Approximation and Scattering Invariant |
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304 | (1) |
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7.5.2 Determination of the Surface Area from the Porod Scattering Regime |
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305 | (1) |
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7.5.3 Shapes and Size Distributions |
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305 | (1) |
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7.5.4 Fractal Morphologies |
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306 | (1) |
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7.6 USAXS/SAXS/WAXS Characterization of CO2 Interactions with Na-Montmorillonite |
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307 | (5) |
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7.6.1 Experimental Methods |
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307 | (3) |
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7.6.2 Results and Discussion |
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310 | (2) |
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312 | (7) |
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313 | (1) |
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313 | (6) |
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8 Contribution of Density Functional Theory to Microporous Materials for Carbon Capture |
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319 | (25) |
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320 | (3) |
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8.1.1 Oxide Molecular Sieves |
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320 | (1) |
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321 | (1) |
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322 | (1) |
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323 | (5) |
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8.2.1 Local Density Approximation |
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324 | (1) |
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8.2.2 General Gradient Approximation |
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325 | (1) |
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325 | (1) |
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325 | (1) |
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326 | (1) |
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8.2.6 Van der Waals (Dispersion) Forces |
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327 | (1) |
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327 | (1) |
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328 | (9) |
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8.3.1 CO2 Location and Binding Energetics |
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329 | (3) |
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332 | (1) |
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332 | (1) |
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333 | (2) |
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335 | (1) |
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336 | (1) |
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8.3.7 Ab Initio Molecular Dynamics |
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336 | (1) |
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337 | (1) |
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8.4 Conclusions and Recommendations |
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337 | (7) |
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338 | (6) |
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9 Computational Modeling Study of Mno2 Octahedral Molecular Sieves for Carbon Dioxide-Capture Applications |
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344 | (13) |
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344 | (1) |
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9.2 Atomic Structure Versus Magnetic Ordering |
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345 | (1) |
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9.3 Pore Size and Dimensionality |
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346 | (1) |
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9.4 CO2 Sorption Behavior |
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347 | (1) |
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9.4.1 Experimental Observations |
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347 | (1) |
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348 | (1) |
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9.5 Comparison of Cation Dopant Types |
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348 | (3) |
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9.5.1 Cation Effects on CO2 Sorption in OMS-2 |
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349 | (2) |
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351 | (2) |
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353 | (4) |
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354 | (3) |
Index |
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357 | |