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Materials for Carbon Capture





Materials for Carbon Capture

De-en Jiang, Shannon Mahurin, Sheng Dai

ISBN: 978-1-119-09117-2 February 2020 520 Pages

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Covers a wide range of advanced materials and technologies for CO2 capture

As a frontier research area, carbon capture has been a major driving force behind many materials technologies. This book highlights the current state-of-the-art in materials for carbon capture, providing a comprehensive understanding of separations ranging from solid sorbents to liquid sorbents and membranes. Filled with diverse and unconventional topics throughout, it seeks to inspire students, as well as experts, to go beyond the novel materials highlighted and develop new materials with enhanced separations properties.

Edited by leading authorities in the field, Materials for Carbon Capture offers in-depth chapters covering: CO2 Capture and Separation of Metal-Organic Frameworks; Porous Carbon Materials: Designed Synthesis and CO2 Capture; Porous Aromatic Frameworks for Carbon Dioxide Capture; and Virtual Screening of Materials for Carbon Capture. Other chapters look at Ultrathin Membranes for Gas Separation; Polymeric Membranes; Carbon Membranes for CO2 Separation; and Composite Materials for Carbon Captures. The book finishes with sections on Poly(amidoamine) Dendrimers for Carbon Capture and Ionic Liquids for Chemisorption of CO2 and Ionic Liquid-Based Membranes. 

  • A comprehensive overview and survey of the present status of materials and technologies for carbon capture
  • Covers materials synthesis, gas separations, membrane fabrication, and CO2 removal to highlight recent progress in the materials and chemistry aspects of carbon capture
  • Allows the reader to better understand the challenges and opportunities in carbon capture
  • Edited by leading experts working on materials and membranes for carbon separation and capture

Materials for Carbon Capture is an excellent book for advanced students of chemistry, materials science, chemical and energy engineering, and early career scientists who are interested in carbon capture. It will also be of great benefit to researchers in academia, national labs, research institutes, and industry working in the field of gas separations and carbon capture.

List of Contributors



1 Introduction
De-en Jiang, Shannon M. Mahurin, and Sheng Dai

2 CO2 Capture and Separation of Metal-Organic Frameworks
Xueying Ge and Shengqian Ma

2.1 Introduction

2.1.1 CO2 capture process

2.1.2 Introduction of MOFs for CO2 capture and separation

2.2 Evaluation Theory

2.2.1 Isosteric Heat of Adsorption (Qst)

2.2.2 Ideal Adsorbed Solution Theory (IAST)

2.3 CO2 capture ability in MOFs

2.3.1 Open metal site

2.3.2 Pore size

2.3.3 Functional polar group

2.3.4 Incorporation

2.4 MOFs in CO2 capture Practice

2.4.1 Single-component CO2 capture capacity

2.4.2 Binary CO2 capture capacity and selectivity

2.4.3 Other related gas selective adsorption

2.5 Membrane for CO2 capture

2.6 Conclusion and Perspectives

3 Porous carbon materials: designed synthesis and CO2 capture
Xiang-Qian Zhang and An-Hui Lu


3.1. Designed synthesis of polymer-based porous carbons as CO2 adsorbents

3.1.1 Hard-template method

3.1.2 Soft-template method

3.1.3 Template-free synthesis

3.2. Ionic liquids (ILs)-derived carbonaceous adsorbents for CO2 capture

3.3. Porous carbons derived from porous organic frameworks for CO2 capture

3.4. Porous carbons derived from sustainable resources for CO2 capture

3.4.1 Direct pyrolysis and/or activation

3.4.2 Sol-gel process and hydrothermal carbonization method

3.5. Critical design principles of porous carbons for CO2 capture

3.5.1 Pore structures

3.5.2 Surface chemistry

3.5.3 Crystalline degree of the porous carbon framework

3.5.4 Functional integration and reinforcement of porous carbon

3.6. Summary and perspective

4 Porous Aromatic Frameworks for Carbon Dioxide Capture
Teng Ben and Shilun Qiu

4.1 Introduction

4.2 Carbon dioxide capture of porous aromatic frameworks

4.3 Strategies for improving the CO2 uptake in porous aromatic frameworks

4.3.1 Improving the surface area

4.3.2 Heteroatom doping

4.3.3 Tailoring the pore size

4.3.4 Post modification

4.4 Conclusion and perspectives

5 Virtual Screening of Materials for Carbon Capture
Aman Jain, Ravichandar Babarao, and Aaron W. Thornton

5.1 Introduction

5.2 Computational Methods

5.2.1 Monte Carlo-based Simulations

5.2.2 Molecular Dynamics Simulation

5.2.3 Density Functional Theory (DFT)

5.2.4 Empirical, Phenomenological and Fundamental Models Langmuir and others Ideal Adsorbed Solution Theory (IAST)

5.2.5 Materials Genome Initiative

5.3 Adsorbent-based CO2 Capture

5.3.1 Direct Air Capture

5.4 Membrane-based CO2 Capture

5.5 Candidate Materials

5.5.1 Metal Organic Frameworks

5.5.2 Zeolites

5.5.3 Zeolitic Imidiazolte Frameworks

5.5.4 Mesoporous carbons

5.5.5 Glassy and Rubbery Polymers

5.5.6 Porous Aromatic Frameworks

5.5.7 Covalent Organic Frameworks

5.6 Criteria for screening candidate materials

5.6.1 CO2 Uptake

5.6.2 Working Capacity

5.6.3 Selectivity

5.6.4 Diffusivity

5.6.5 Regenerability

5.6.6 Breakthrough time in PSA

5.6.7 Heat of Adsorption

5.7 In-Silico Insights

5.7.1 Effect of Water Vapour

5.7.2 Effect of Metal Exchange

5.7.3 Effect of Ionic Exchange

5.7.4 Effect of Framework Charges

5.7.5 Effect of High Density Metal Sites

5.7.6 Effect of Slipping


6 Ultrathin Membranes for Gas Separation
Ziqi Tian, Song Wang, Sheng Dai, and De-en Jiang

6. 1 Introduction

6.2 Porous Graphene

6.2.1 Proof of Concept

6.2.2 Experimental Confirmation

6.2.3 More Realistic Simulations to Obtain Permeance

6.2.4 Further Simulations of Porous Graphene

6.2.5 Effect of Pore Density on Gas Permeation

6.3 Graphene-Derived 2D Membranes

6.3.1 Poly-Phenylene Membrane

6.3.2 Graphyne and Graphdiyne Membranes

6.3.3 Graphene Oxide Membranes

6.3.4 2D Porous Organic Polymers

6.4 Porous Carbon Nanotube

6.5 Porous Porphyrins

6.6 Flexible Control of Pore Size

6.6.1 Ion-Gated Porous Graphene Membrane

6.6.2 Bilayer Porous Graphene with Continuously Tunable Pore Size

6.7 Summary and Outlook



7 Polymeric Membranes
Jason E. Bara and W. Jeffrey Horne

7.1 Introduction

7.1.1 Overview of Post-Combustion CO2 Capture

7.1.2 Polymer Membrane Fundamentals and Process Considerations

7.2 Polymer Types

7.2.1 Poly(Ethylene Glycol)

7.2.2 Polyimides & Thermally Rearranged Polymers

7.2.3 Polymers of Intrinsic Microporosity (PIMs)

7.2.4 Poly(Ionic Liquids)

7.2.5 Other Polymer Materials

7.3 Facilitated Transport

7.4 Membrane Contactors

7.5 Summary and Perspectives

8 Carbon Membranes for CO2 Separation
Kuan Huang and Sheng Dai

8.1. Introduction

8.2. Theory

8.3. Graphene membranes

8.4. Carbon nanotube membranes

8.5. Carbon molecular sieve membranes

8.6. Conclusions and outlook

9 Composite Materials for Carbon Captures
Sunee Wongchitphimon, Siew Siang Lee, Chong Yang Chuah, Rong Wang, and Tae-Hyun Bae

9.1 Introduction

9.1.1 Technologies for CO2 Capture

9.1.2 Composite Materials for Adsorptive CO2 Capture

9.1.3 Composite Materials for Membrane-Based CO2 Capture

9.2 Fillers for Composite Materials

9.2.1 Zeolites

9.2.2 Metal-Organic Frameworks

9.2.3 Other Particulate Materials

9.2.4 1-d Materials

9.2.5 2-d Materials

9.3 Non-Ideality of Filler/Polymer Interfaces

9.4 Composite Adsorbents

9.5 Composite Membranes

9.6 Conclusion and Outlook

10 Poly(amidoamine) Dendrimers for Carbon Capture
Ikuo Taniguchi

10.1 Introduction

10.2 Poly(amidoamine) in CO2 Capture

10.2.1 A brief introduction of history

10.2.2 Immobilization of PAMAM dendrimers Immobilization in crosslinked chitosan Immobilization in crosslinked PVA Immobilization in crosslinked PEG

10.3 Factors to determine CO2 separation properties

10.3.1 Effect of phase-separated structure Visualization of phase-separated structure Effect of humidity Effect of phase separation

10.4 CO2-selective molecular gate

10.5 Enhancement of CO2 separation performance

10.5 Conclusion and Perspectives

11 Ionic Liquids for Chemisorption of CO2
Mingguang Pan and Congmin Wang

11.1 Introduction

11.2 Protic Ionic Liquids for Chemisorption of CO2

11.3 Aprotic Ionic Liquids for Chemisorption of CO2

11.3.1 N as the Absorption Site

11.3.2 O as the Absorption Site

11.3.3 Both N, O as the Absorption Sites

11.3.4 C as the Absorption Site

11.4 Metal Chelate Ionic Liquids for Chemisorption of CO2

11.5 Ionic Liquid Based Mixtures for Chemisorption of CO2

11.6 Supported Ionic Liquid for Chemisorption of CO2

11.7 Conclusion and Perspectives

12 Ionic Liquid-Based Membranes
Chi-Linh Do-Thanh, Jennifer Schott, Sheng Dai, and Shannon M. Mahurin

12.1 Introduction

12.1.1 Transport in ionic liquids

12.1.2 Facilitated transport

12.2 Supported Ionic Liquid Membranes

12.2.1 Microporous supports and nanoconfinement

12.2.2 Hollow fiber supports

12.3 Polymerizable Ionic Liquids

12.4 Mixed Matrix Ionic Liquids

12.5 Conclusion and Outlook