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

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.