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Atmospheric CO2 penetrates the concrete's pores and, in the presence of moisture, forms carbonic acid, which then reacts with calcium hydroxide in the hydrated cement, forming calcium carbonate. This process reduces the concrete's volume and is termed carbonation shrinkage.
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Carbonation is a process used to dissolve carbon dioxide gas in a liquid, commonly used in the production of carbonated beverages. Achieving efficient carbonation requires careful control of temperature, pressure, and flow conditions. By adjusting these parameters, carbonation efficiency can be maximized, producing a higher concentration of CO2 in the liquid.
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Hydration of cement is a chemical reaction between cement particles and water. This process occurs primarily through two mechanisms: through-solution and topochemical. In the through-solution process, anhydrous compounds dissolve into their constituents, hydrates form in the solution, and then precipitate from the supersaturated solution. The topochemical process involves solid-state reactions at the cement particle surface. The through-solution process dominates the topochemical process at the...
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Moisture-driven carbonation kinetics for ultrafast CO2 mineralization.

Yining Gao1,2, Yong Tao1,2, Gen Li1,2

  • 1Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong 999077, China.

Proceedings of the National Academy of Sciences of the United States of America
|January 10, 2025
PubMed
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Water content critically influences CO2 mineralization efficiency. Optimal moisture levels enhance CO2 uptake via capillary condensation, while excessive water shifts reactions to mineral surfaces for ultrafast carbonation.

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CO2 mineralizationatomistic simulationscarbonation kineticsmoisture impact

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Area of Science:

  • Earth and Environmental Sciences
  • Materials Science
  • Chemical Engineering

Background:

  • CO2 mineralization is key for carbon sequestration and mitigating global warming.
  • Water's role in CO2 mineralization is vital but not fully understood.
  • Calcium-bearing minerals are crucial for this process.

Purpose of the Study:

  • To elucidate the mechanisms of moisture-driven carbonation kinetics in calcium-bearing minerals.
  • To understand how water content affects CO2 uptake and reaction pathways.
  • To optimize CO2 mineralization strategies for decarbonization.

Main Methods:

  • Combined experimental and atomistic simulation approach.
  • Utilized a self-designed carbonation reactor with an ultrasonic atomizer for precise water control.
  • Employed Grand Canonical Monte Carlo and metadynamics simulations.

Main Results:

  • Maximum CO2 uptake occurs at optimal moisture (0.1-0.2 g/g) due to capillary condensation enhancing CO2 adsorption.
  • Higher moisture content hinders CO2 diffusion into mineral pores.
  • Very high moisture levels shift carbonation to the mineral surface, driven by dissolution.

Conclusions:

  • Water plays a multifaceted role in mineral carbonation kinetics.
  • Optimal moisture levels enable ultrafast adsorption-driven carbonation.
  • Surface dissolution-driven carbonation occurs at high moisture levels, offering another ultrafast pathway.