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Updated: Apr 30, 2026

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Carbon Capture Simulation Initiative: a case study in multiscale modeling and new challenges.

David C Miller1, Madhava Syamlal, David S Mebane

  • 1US Department of Energy, National Energy Technology Laboratory, Pittsburgh, Pennsylvania 15236;

Annual Review of Chemical and Biomolecular Engineering
|May 7, 2014
PubMed
Summary
This summary is machine-generated.

Advanced multiscale modeling and simulation accelerate carbon capture technology development. The Carbon Capture Simulation Initiative provides integrated tools for process design, optimization, and risk analysis, reducing development time and cost.

Keywords:
computational fluid dynamicsoptimizationprocess controlprocess synthesisrisk analysisuncertainty quantification

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Area of Science:

  • Chemical Engineering
  • Computational Science

Background:

  • Developing new carbon capture technologies is time-consuming and expensive.
  • Advanced modeling and simulation tools can significantly improve efficiency.

Purpose of the Study:

  • To introduce the Carbon Capture Simulation Initiative (CCSI) and its multiscale modeling tools.
  • To demonstrate how these tools reduce development time and cost for carbon capture technologies.

Main Methods:

  • Developing and deploying a suite of integrated tools: data submodels, process models (steady-state and dynamic), optimization, uncertainty quantification, control frameworks, and CFD models.
  • Integrating thermodynamics and kinetics data into detailed process models.
  • Utilizing validated high-fidelity CFD models with quantified uncertainty.

Main Results:

  • The CCSI tools enable the synthesis and optimization of carbon capture processes.
  • Improved process control system development and equipment design through detailed simulations.
  • Reduced scale-up risk and enhanced design through uncertainty quantification across scales.

Conclusions:

  • Multiscale modeling and simulation are crucial for efficient development of carbon capture technologies.
  • The CCSI provides a comprehensive framework for accelerating the deployment of these technologies.