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An Overview: Reaction Mechanisms and Modelling of CO2 Utilization via Mineralization

Category: Review

Volume: 18 | Issue: 4 | Pages: 829-848
DOI: 10.4209/aaqr.2018.03.0093

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To cite this article:
Pan, S.Y., Ling, T.C., Park, A.H.A. and Chiang, P.C. (2018). An Overview: Reaction Mechanisms and Modelling of CO2 Utilization via Mineralization. Aerosol Air Qual. Res. 18: 829-848. doi: 10.4209/aaqr.2018.03.0093.

Shu-Yuan Pan 1, Tung-Chai Ling2, Ah-Hyung Alissa Park3,4, Pen-Chi Chiang 1,5

  • 1 Carbon Cycle Research Center, National Taiwan University, Taipei 10672, Taiwan
  • 2 Key Laboratory for Green and Advanced Civil Engineering Materials and Application Technology of Hunan Province, College of Civil Engineering, Hunan University, Changsha 410082, China
  • 3 Department of Chemical Engineering; Department of Earth and Environmental Engineering, Columbia University, New York, NY 10027, USA
  • 4 Lenfest Center for Sustainable Energy, Columbia University, New York, NY 10027, USA
  • 5 Graduate Institute of Environmental Engineering, National Taiwan University, Taipei 10673, Taiwan


Phenomenological models for CO2 mineralization using solid wastes are reviewed.
Theoretical considerations on reaction kinetics at interface level are illustrated.
Some examples such as shrinking core model and surface coverage model are provided.
Advanced (coupled) models considering multiple mechanisms are discussed.
Perspective and prospective are provided to shine a light on future directions.


Accelerated carbonation using alkaline solid wastes has been considered an effective approach to mineralizing flue gas CO2 from industries or power plants. Despite its recent progress, mechanistic understanding and modelling at interface levels are still needed to control the reactivity and equilibrium of the reaction system. This review focuses on several phenomenological models for accelerated carbonation that look at the solid-fluid interface. We first illustrate the principles of kinetic and mass transfer driven reactions for CO2-mineral-water systems. Then, we provide an overview into the reaction mechanisms and modelling for CO2 mineralization including leaching-precipitation model, shrinking core model and surface coverage model. Advanced models considering multiple mechanisms, such as two-layer diffusion model, are also discussed. Finally, the perspectives and prospects are provided to shine a light on future directions, including incorporation of structural and physical properties in phenomenological models, identification of dynamic speciation by in-situ high-resolution equipment, and integration of heat transfer in reaction modelling for system optimization.


Mechanism Diffusion Kinetics Shrinking core model Surface coverage model

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