Materials for carbon capture

Cover......Page 1
Title Page......Page 5
Copyright......Page 6
Contents......Page 7
List of Contributors......Page 13
Preface......Page 17
Acknowledgments......Page 19
Chapter 1 Introduction......Page 21
 References......Page 23
 2.1 Introduction......Page 25
  2.1.2 Introduction to MOFs for CO2 Capture and Separation......Page 27
  2.2.1 Isosteric Heat of Adsorption (Qst)......Page 28
   2.2.1.3 The Langmuir–Freundlich Equation......Page 29
  2.3.1 Open Metal Site......Page 30
  2.3.2 Pore Size......Page 31
  2.3.3 Polar Functional Group......Page 33
  2.4.1 Single‐Component CO2 Capture Capacity......Page 34
  2.4.2 Binary CO2 Capture Capacity and Selectivity......Page 36
 2.5 Membrane for CO2 Capture......Page 39
  2.5.2 MOF‐Based Mixed Matrix Membranes for CO2 Capture......Page 40
 References......Page 41
 3.1 Introduction......Page 49
 3.2 Designed Synthesis of Polymer‐Based Porous Carbons as CO2 Adsorbents......Page 50
   3.2.1.1 Porous Carbons Replicated from Porous Silica......Page 51
   3.2.1.2 Porous Carbons Replicated from Crystalline Microporous Materials......Page 53
   3.2.1.3 Porous Carbons Replicated from Colloidal Crystals......Page 55
   3.2.1.4 Porous Carbons Replicated from MgO Nanoparticles......Page 56
   3.2.2.1 Carbon Monolith......Page 58
   3.2.2.2 Carbon Films and Sheets......Page 65
   3.2.2.3 Carbon Spheres......Page 68
  3.2.3 Template‐Free Synthesis......Page 69
 3.3 Porous Carbons Derived from Ionic Liquids for CO2 Capture......Page 73
 3.4 Porous Carbons Derived from Porous Organic Frameworks for CO2 Capture......Page 76
 3.5 Porous Carbons Derived from Sustainable Resources for CO2 Capture......Page 81
  3.5.1 Direct Pyrolysis and/or Activation......Page 83
  3.5.2 Sol–Gel Process and Hydrothermal Carbonization Method......Page 84
  3.6.1 Pore Structures......Page 87
   3.6.2.1 Nitrogen‐Containing Precursors......Page 92
   3.6.2.2 High‐Temperature Reaction and Transformation......Page 96
   3.6.2.3 Oxygen‐Containing or Sulfur‐Containing Functional Groups......Page 97
  3.6.3 Crystalline Degree of the Porous Carbon Framework......Page 101
  3.6.4 Functional Integration and Reinforcement of Porous Carbon......Page 103
 3.7 Summary and Perspective......Page 108
 References......Page 109
 4.1 Introduction......Page 117
  4.3.1 Improving the Surface Area......Page 118
  4.3.2 Heteroatom Doping......Page 119
  4.3.3 Tailoring the Pore Size......Page 122
  4.3.4 Post Modification......Page 123
 References......Page 134
Chapter 5 Virtual Screening of Materials for Carbon Capture......Page 137
  5.2.1 Monte Carlo‐Based Simulations......Page 138
  5.2.3 Density Functional Theory......Page 142
  5.2.4 Empirical, Phenomenological, and Fundamental Models......Page 143
   5.2.4.2 Ideal Adsorbed Solution Theory (IAST)......Page 144
  5.2.5 Materials Genome Initiative......Page 146
  5.2.6 High‐Throughput Screening......Page 147
 5.3 Adsorbent‐Based CO2 Capture......Page 149
  5.3.1 Direct Air Capture......Page 150
  5.5.1 Metal Organic Frameworks......Page 151
  5.5.2 Zeolites......Page 152
  5.5.5 Glassy and Rubbery Polymers......Page 153
 5.6 Porous Aromatic Frameworks......Page 154
  5.8.1 CO2 Uptake......Page 155
  5.8.2 Working Capacity......Page 156
  5.8.4 Diffusivity......Page 157
  5.9.1 Effect of Water Vapor......Page 158
  5.9.2 Effect of Metal Exchange......Page 161
  5.9.4 Effect of Framework Charges......Page 162
  5.9.5 Effect of High‐Density Open Metal Sites......Page 164
 References......Page 165
 6.1 Introduction......Page 173
  6.2.1 Proof of Concept......Page 175
  6.2.2 Experimental Confirmation......Page 176
  6.2.3 More Realistic Simulations to Obtain Permeance......Page 178
  6.2.4 Further Simulations of Porous Graphene......Page 180
  6.2.5 Effect of Pore Density on Gas Permeation......Page 181
  6.3.1 Poly‐phenylene Membrane......Page 183
  6.3.2 Graphyne and Graphdiyne Membranes......Page 185
  6.3.4 2D Porous Organic Polymers......Page 186
 6.4 Porous Carbon Nanotube......Page 188
 6.5 Porous Porphyrins......Page 192
  6.6.1 Ion‐Gated Porous Graphene Membrane......Page 194
  6.6.2 Bilayer Porous Graphene with Continuously Tunable Pore Size......Page 196
 6.7 Summary and Outlook......Page 198
 References......Page 199
  7.1.1 Overview of Post‐Combustion CO2 Capture......Page 207
  7.1.2 Polymer Membrane Fundamentals and Process Considerations......Page 209
  7.2.1 Poly(Ethylene Glycol)......Page 213
  7.2.2 Polyimides and Thermally Rearranged Polymers......Page 215
  7.2.3 Polymers of Intrinsic Microporosity (PIMs)......Page 216
  7.2.4 Poly(Ionic Liquids)......Page 217
  7.2.5 Other Polymer Materials......Page 218
 7.3 Facilitated Transport......Page 219
 7.4 Polymer Membrane Contactors......Page 222
 7.5 Summary and Perspectives......Page 223
 References......Page 224
 8.1 Introduction......Page 235
 8.2 Theory......Page 236
 8.3 Graphene Membranes......Page 237
 8.4 Carbon Nanotube Membranes......Page 241
 8.5 Carbon Molecular Sieve Membranes......Page 242
 Acknowledgments......Page 250
 References......Page 251
 9.1 Introduction......Page 257
  9.1.1 Technologies for CO2 Capture......Page 258
  9.1.2 Composite Materials for Adsorptive CO2 Capture......Page 259
  9.1.3 Composite Materials for Membrane‐Based CO2 Capture......Page 260
  9.2.1 Zeolites......Page 262
  9.2.2 Metal–Organic Frameworks......Page 263
  9.2.4 1‐D Materials – Carbon Nanotubes......Page 267
  9.2.5 2‐D Materials – Layered Silicate and Graphene......Page 268
 9.3 Non‐Ideality of Filler/Polymer Interfaces......Page 270
  9.3.1 Sieve‐in‐a‐Cage......Page 271
 9.4 Composite Adsorbents......Page 273
 9.5 Composite Membranes (Mixed‐Matrix Membranes)......Page 275
 9.6 Conclusion and Outlook......Page 276
 References......Page 280
 10.1 Introduction......Page 287
  10.2.1 A Brief History......Page 289
   10.2.2.1 Immobilization in Crosslinked Chitosan......Page 290
   10.2.2.2 Immobilization in Crosslinked Poly(Vinyl Alcohol)......Page 293
   10.2.2.3 Immobilization in Crosslinked PEG......Page 295
  10.3.1 Visualization of Phase‐Separated Structure......Page 296
  10.3.2 Effect of Humidity......Page 300
  10.3.3 Effect of Phase‐Separated Structure......Page 301
 10.4 CO2‐Selective Molecular Gate......Page 304
 10.5 Enhancement of CO2 Separation Performance......Page 306
 10.6 Conclusion and Perspectives......Page 308
 References......Page 311
 11.1 Introduction......Page 317
 11.2 PILs for Chemisorption of CO2......Page 319
   11.3.1.1 Amino‐Containing Ionic Liquids......Page 320
   11.3.1.2 Azolide Ionic Liquids......Page 322
  11.3.3 Both N, O as Absorption Sites......Page 323
  11.3.4 C as the Absorption Site......Page 326
 11.5 IL‐Based Mixtures for Chemisorption of CO2......Page 327
 11.6 Supported ILs for Chemisorption of CO2......Page 328
 Acknowledgments......Page 329
 References......Page 330
 12.1 Introduction......Page 337
  12.1.1 Transport in Ionic Liquids......Page 340
  12.1.2 Facilitated Transport......Page 341
 12.2 Supported IL Membranes......Page 343
  12.2.1 Microporous Supports and Nanoconfinement......Page 347
  12.2.2 Hollow‐Fiber Supports......Page 348
 12.3 Polymerizable ILs......Page 350
 12.4 Mixed‐Matrix ILs......Page 352
 References......Page 356
Index......Page 367
EULA......Page 376