Materials for Carbon Capture

375 Pages·2020·26.058 MB·English

by  De-En Jiang, Shannon M. Mahurin, Sheng Dai

(cid:2)
Materials for Carbon Capture
(cid:2) (cid:2)
(cid:2)

(cid:2)
Materials for Carbon Capture
Edited by
De-en Jiang
DepartmentofChemistry,UniversityofCalifornia, Riverside,CA,USA
Shannon M. Mahurin
ChemicalSciencesDivision,OakRidgeNationalLaboratory, OakRidge,TN,USA
(cid:2) (cid:2)
Sheng Dai
ChemicalSciencesDivision,OakRidgeNationalLaboratory, OakRidge,TN,USA
DepartmentofChemistry,UniversityofTennessee, Knoxville,TN,USA
(cid:2)
(cid:2)
Thiseditionfirstpublished2020
©2020JohnWiley&SonsLtd
Allrightsreserved.Nopartofthispublicationmaybereproduced,storedinaretrievalsystem,or
transmitted,inanyformorbyanymeans,electronic,mechanical,photocopying,recordingorotherwise,
exceptaspermittedbylaw.Adviceonhowtoobtainpermissiontoreusematerialfromthistitleisavailable
athttp://www.wiley.com/go/permissions.
TherightofDe-enJiang,ShannonM.MahurinandShengDaitobeidentifiedastheauthorsofthe
editorialmaterialinthisworkhasbeenassertedinaccordancewithlaw.
RegisteredOffices
JohnWiley&Sons,Inc.,111RiverStreet,Hoboken,NJ07030,USA
JohnWiley&SonsLtd,TheAtrium,SouthernGate,Chichester,WestSussex,PO198SQ,UK
EditorialOffice
TheAtrium,SouthernGate,Chichester,WestSussex,PO198SQ,UK
Fordetailsofourglobaleditorialoffices,customerservices,andmoreinformationaboutWileyproducts
visitusatwww.wiley.com.
Wileyalsopublishesitsbooksinavarietyofelectronicformatsandbyprint-on-demand.Somecontentthat
appearsinstandardprintversionsofthisbookmaynotbeavailableinotherformats.
LimitofLiability/DisclaimerofWarranty
Inviewofongoingresearch,equipmentmodifications,changesingovernmentalregulations,andthe
constantflowofinformationrelatingtotheuseofexperimentalreagents,equipment,anddevices,the
readerisurgedtoreviewandevaluatetheinformationprovidedinthepackageinsertorinstructionsfor
eachchemical,pieceofequipment,reagent,ordevicefor,amongotherthings,anychangesinthe
(cid:2) instructionsorindicationofusageandforaddedwarningsandprecautions.Whilethepublisherand (cid:2)
authorshaveusedtheirbesteffortsinpreparingthiswork,theymakenorepresentationsorwarrantieswith
respecttotheaccuracyorcompletenessofthecontentsofthisworkandspecificallydisclaimallwarranties,
includingwithoutlimitationanyimpliedwarrantiesofmerchantabilityorfitnessforaparticularpurpose.
Nowarrantymaybecreatedorextendedbysalesrepresentatives,writtensalesmaterialsorpromotional
statementsforthiswork.Thefactthatanorganization,website,orproductisreferredtointhisworkasa
citationand/orpotentialsourceoffurtherinformationdoesnotmeanthatthepublisherandauthors
endorsetheinformationorservicestheorganization,website,orproductmayprovideorrecommendations
itmaymake.Thisworkissoldwiththeunderstandingthatthepublisherisnotengagedinrendering
professionalservices.Theadviceandstrategiescontainedhereinmaynotbesuitableforyoursituation.
Youshouldconsultwithaspecialistwhereappropriate.Further,readersshouldbeawarethatwebsites
listedinthisworkmayhavechangedordisappearedbetweenwhenthisworkwaswrittenandwhenitis
read.Neitherthepublishernorauthorsshallbeliableforanylossofprofitoranyothercommercial
damages,includingbutnotlimitedtospecial,incidental,consequential,orotherdamages.
LibraryofCongressCataloging-in-PublicationDataappliedfor
HardbackISBN:9781119091172
CoverDesign:Wiley
CoverImage:CourtesyofDe-enJiang
Setin9.5/12.5ptSTIXTwoTextbySPiGlobal,Chennai,India
PrintedandboundbyCPIGroup(UK)Ltd,Croydon,CR04YY
10 9 8 7 6 5 4 3 2 1
(cid:2)
(cid:2)
v
Contents
ListofContributors xi
Preface xv
Acknowledgments xvii
1 Introduction 1
De-enJiang,ShannonM.MahurinandShengDai
References 3
2 CO CaptureandSeparationofMetal–OrganicFrameworks 5
2
(cid:2) XueyingGeandShengqianMa (cid:2)
2.1 Introduction 5
2.1.1 CO CaptureProcess 7
2
2.1.2 IntroductiontoMOFsforCO CaptureandSeparation 7
2
2.2 EvaluationTheory 8
2.2.1 IsostericHeatofAdsorption(Q ) 8
st
2.2.1.1 TheVirialMethod1 9
2.2.1.2 TheVirialMethod2 9
2.2.1.3 TheLangmuir–FreundlichEquation 9
2.2.2 IdealAdsorbedSolutionTheory(IAST) 10
2.3 CO CaptureAbilityinMOFs 10
2
2.3.1 OpenMetalSite 10
2.3.2 PoreSize 11
2.3.3 PolarFunctionalGroup 13
2.3.4 Incorporation 14
2.4 MOFsinCO CaptureinPractice 14
2
2.4.1 Single-ComponentCO CaptureCapacity 14
2
2.4.2 BinaryCO CaptureCapacityandSelectivity 16
2
2.4.3 OtherRelatedGas-SelectiveAdsorption 19
2.5 MembraneforCO Capture 19
2
2.5.1 PureMOFMembraneforCO Capture 20
2
2.5.2 MOF-BasedMixedMatrixMembranesforCO Capture 20
2
(cid:2)
(cid:2)
vi Contents
2.6 ConclusionandPerspectives 21
Acknowledgments 21
References 21
3 PorousCarbonMaterials 29
Xiang-QianZhangandAn-HuiLu
3.1 Introduction 29
3.2 DesignedSynthesisofPolymer-BasedPorousCarbonsasCO Adsorbents 30
2
3.2.1 Hard-TemplateMethod 31
3.2.1.1 PorousCarbonsReplicatedfromPorousSilica 31
3.2.1.2 PorousCarbonsReplicatedfromCrystallineMicroporousMaterials 33
3.2.1.3 PorousCarbonsReplicatedfromColloidalCrystals 35
3.2.1.4 PorousCarbonsReplicatedfromMgONanoparticles 36
3.2.2 Soft-TemplateMethod 38
3.2.2.1 CarbonMonolith 38
3.2.2.2 CarbonFilmsandSheets 45
3.2.2.3 CarbonSpheres 48
3.2.3 Template-FreeSynthesis 49
3.3 PorousCarbonsDerivedfromIonicLiquidsforCO Capture 53
2
3.4 PorousCarbonsDerivedfromPorousOrganicFrameworksforCO Capture 56
2
3.5 PorousCarbonsDerivedfromSustainableResourcesforCO Capture 61
2
(cid:2) 3.5.1 DirectPyrolysisand/orActivation 63 (cid:2)
3.5.2 Sol–GelProcessandHydrothermalCarbonizationMethod 64
3.6 CriticalDesignPrinciplesofPorousCarbonsforCO Capture 67
2
3.6.1 PoreStructures 67
3.6.2 SurfaceChemistry 72
3.6.2.1 Nitrogen-ContainingPrecursors 72
3.6.2.2 High-TemperatureReactionandTransformation 76
3.6.2.3 Oxygen-ContainingorSulfur-ContainingFunctionalGroups 77
3.6.3 CrystallineDegreeofthePorousCarbonFramework 81
3.6.4 FunctionalIntegrationandReinforcementofPorousCarbon 83
3.7 SummaryandPerspective 88
References 89
4 PorousAromaticFrameworksforCarbonDioxideCapture 97
TengBenandShilunQiu
4.1 Introduction 97
4.2 CarbonDioxideCaptureofPorousAromaticFrameworks 98
4.3 StrategiesforImprovingCO UptakeinPorousAromaticFrameworks 98
2
4.3.1 ImprovingtheSurfaceArea 98
4.3.2 HeteroatomDoping 99
4.3.3 TailoringthePoreSize 102
4.3.4 PostModification 103
4.4 ConclusionandPerspectives 114
References 114
(cid:2)
(cid:2)
Contents vii
5 VirtualScreeningofMaterialsforCarbonCapture 117
AmanJain,RavichandarBabaraoandAaronW.Thornton
5.1 Introduction 118
5.2 ComputationalMethods 118
5.2.1 MonteCarlo-BasedSimulations 118
5.2.2 MDSimulation 122
5.2.3 DensityFunctionalTheory 122
5.2.4 Empirical,Phenomenological,andFundamentalModels 123
5.2.4.1 LangmuirandOthers 124
5.2.4.2 IdealAdsorbedSolutionTheory(IAST) 124
5.2.5 MaterialsGenomeInitiative 126
5.2.6 High-ThroughputScreening 127
5.3 Adsorbent-BasedCO Capture 129
2
5.3.1 DirectAirCapture 130
5.4 Membrane-BasedCO Capture 131
2
5.5 CandidateMaterials 131
5.5.1 MetalOrganicFrameworks 131
5.5.2 Zeolites 132
5.5.3 ZeoliticImidiazolateFrameworks 133
5.5.4 MesoporousCarbons 133
5.5.5 GlassyandRubberyPolymers 133
(cid:2) 5.6 PorousAromaticFrameworks 134 (cid:2)
5.7 CovalentOrganicFrameworks 135
5.8 CriteriaforScreeningCandidateMaterials 135
5.8.1 CO Uptake 135
2
5.8.2 WorkingCapacity 136
5.8.3 Selectivity 137
5.8.4 Diffusivity 137
5.8.5 Regenerability 138
5.8.6 BreakthroughTimeinPSA 138
5.8.7 HeatofAdsorption 138
5.9 In-SilicoInsights 138
5.9.1 EffectofWaterVapor 138
5.9.2 EffectofMetalExchange 141
5.9.3 EffectofIonicExchange 142
5.9.4 EffectofFrameworkCharges 142
5.9.5 EffectofHigh-DensityOpenMetalSites 144
5.9.6 EffectofSlipping 145
References 145
6 UltrathinMembranesforGasSeparation 153
ZiqiTian,SongWang,ShengDaiandDe-enJiang
6.1 Introduction 153
6.2 PorousGraphene 155
6.2.1 ProofofConcept 155
(cid:2)
(cid:2)
viii Contents
6.2.2 ExperimentalConfirmation 156
6.2.3 MoreRealisticSimulationstoObtainPermeance 158
6.2.4 FurtherSimulationsofPorousGraphene 160
6.2.5 EffectofPoreDensityonGasPermeation 161
6.3 Graphene-Derived2DMembranes 163
6.3.1 Poly-phenyleneMembrane 163
6.3.2 GraphyneandGraphdiyneMembranes 165
6.3.3 GrapheneOxideMembranes 166
6.3.4 2DPorousOrganicPolymers 166
6.4 PorousCarbonNanotube 168
6.5 PorousPorphyrins 172
6.6 FlexibleControlofPoreSize 174
6.6.1 Ion-GatedPorousGrapheneMembrane 174
6.6.2 BilayerPorousGraphenewithContinuouslyTunablePoreSize 176
6.7 SummaryandOutlook 178
Acknowledgments 179
References 179
7 PolymericMembranes 187
JasonE.BaraandW.JeffreyHorne
7.1 Introduction 187
(cid:2) 7.1.1 OverviewofPost-CombustionCO Capture 187 (cid:2)
2
7.1.2 PolymerMembraneFundamentalsandProcess
Considerations 189
7.2 PolymerTypes 193
7.2.1 Poly(EthyleneGlycol) 193
7.2.2 PolyimidesandThermallyRearrangedPolymers 195
7.2.3 PolymersofIntrinsicMicroporosity(PIMs) 196
7.2.4 Poly(IonicLiquids) 197
7.2.5 OtherPolymerMaterials 198
7.3 FacilitatedTransport 199
7.4 PolymerMembraneContactors 202
7.5 SummaryandPerspectives 203
References 204
8 CarbonMembranesforCO Separation 215
2
KuanHuangandShengDai
8.1 Introduction 215
8.2 Theory 216
8.3 GrapheneMembranes 217
8.4 CarbonNanotubeMembranes 221
8.5 CarbonMolecularSieveMembranes 222
8.6 ConclusionsandOutlook 230
Acknowledgments 230
References 231
(cid:2)
(cid:2)
Contents ix
9 CompositeMaterialsforCarbonCapture 237
SuneeWongchitphimon,SiewSiangLee,ChongYangChuah,RongWangand
Tae-HyunBae
9.1 Introduction 237
9.1.1 TechnologiesforCO Capture 238
2
9.1.2 CompositeMaterialsforAdsorptiveCO Capture 239
2
9.1.3 CompositeMaterialsforMembrane-BasedCO Capture 240
2
9.2 FillersforCompositeMaterials 242
9.2.1 Zeolites 242
9.2.2 Metal–OrganicFrameworks 243
9.2.3 OtherParticulateMaterials–CarbonMolecularSievesandMesoporous
Silica 247
9.2.4 1-DMaterials–CarbonNanotubes 247
9.2.5 2-DMaterials–LayeredSilicateandGraphene 248
9.3 Non-IdealityofFiller/PolymerInterfaces 250
9.3.1 Sieve-in-a-Cage 251
9.3.2 PolymerMatrixRigidification 253
9.3.3 PluggedFillerPores 253
9.4 CompositeAdsorbents 253
9.5 CompositeMembranes(Mixed-MatrixMembranes) 255
9.6 ConclusionandOutlook 256
(cid:2) References 260 (cid:2)
10 Poly(Amidoamine)DendrimersforCarbonCapture 267
IkuoTaniguchi
10.1 Introduction 267
10.2 Poly(Amidoamine)inCO Capture 269
2
10.2.1 ABriefHistory 269
10.2.2 ImmobilizationofPAMAMDendrimers 270
10.2.2.1 ImmobilizationinCrosslinkedChitosan 270
10.2.2.2 ImmobilizationinCrosslinkedPoly(VinylAlcohol) 273
10.2.2.3 ImmobilizationinCrosslinkedPEG 275
10.3 FactorstoDetermineCO SeparationProperties 276
2
10.3.1 VisualizationofPhase-SeparatedStructure 276
10.3.2 EffectofHumidity 280
10.3.3 EffectofPhase-SeparatedStructure 281
10.4 CO -SelectiveMolecularGate 284
2
10.5 EnhancementofCO SeparationPerformance 286
2
10.6 ConclusionandPerspectives 288
Acknowledgments 291
References 291
11 IonicLiquidsforChemisorptionofCO 297
2
MingguangPanandCongminWang
11.1 Introduction 297
(cid:2)