Bridging Death Valley with Carbon Capture

Mitigating the effects of climate change has become a global priority. Countries and international organizations are developing various strategies to address it. Reducing CO₂ emissions is at the top of the list, with carbon capture technologies being a promising avenue.

However, bridging the gap between research and practical implementation of carbon capture solutions has proven so difficult that it has been given a name: the “Valley of Death.” The challenge is compounded by the need to consider the perspectives and priorities of different stakeholders throughout the process.

Traditionally, the development of carbon capture technologies begins with materials design by chemists and process development by engineers, while economic and environmental impacts are assessed later. The results are often suboptimal and only delay the implementation of concrete solutions.

In response, scientists led by Berend Smit at EPFL and Susana Garcia at Heriot-Watt University developed the PrISMa Platform (Process-Informed design of tailormade Sorbent Materials): an innovative tool that seamlessly connects materials science, process design, techno-economics and life cycle assessment by considering multiple stakeholder perspectives from the outset.

Using advanced simulations and machine learning, PrISMa can identify the most efficient and sustainable solutions and predict the performance of new materials, making it a powerful tool in the fight against climate change.

Assessment of key performance indicators

PrISMa evaluates four key performance indicators (KPIs), or “layers,” to assess the viability of a carbon capture material from its initial development through to its implementation in a full carbon capture plant.

1. Material Layer: Using experimental data and molecular simulations, the platform predicts the adsorption properties of potential absorbing materials.
2. Process layer: PrISMa calculates process performance parameters, such as purity, recovery and energy requirements.
3. Techno-economic analysis layer: PrISMa assesses the economic and technical viability of a carbon capture plant.
4. Life Cycle Analysis Layer: PrISMa assesses environmental impacts across the entire life cycle of the plant, ensuring overall sustainability.

PrISMa test on case studies

The scientists used PrISMa to compare more than sixty real-world case studies, in which CO₂ The data comes from different sources in five regions of the world and uses different technologies. By taking into account the perspectives of multiple stakeholders, PrISMa has helped identify the most effective and sustainable solutions.

“One of the unique features of the PrISMa platform is its ability to predict the performance of new materials using advanced simulations and machine learning,” says Berend Smit. “This innovative approach accelerates the discovery of high-performance materials for carbon capture, surpassing traditional trial-and-error methods.”

Molecular simulations

The platform integrates density functional theory (DFT) and molecular simulation to predict material properties needed for process design. The team tested this approach on a CO₂ capture plant by examining indirect emissions over 30 years of plant operation, and coupling this with a technical-economic assessment, which assessed the cost of the process.

“We were able to connect the movement of electrons at the DFT level to calculate the total amount of CO₂ captured over the 30-year lifetime of a capture plant, and at what costs,” says Berend Smit.

The stakeholder perspective

PrISMa provides valuable information to various stakeholders, giving engineers the tools to design the most efficient and cost-effective carbon capture processes, and guiding chemists on the molecular characteristics that improve materials performance.

Environmental managers have access to comprehensive environmental impact assessments, enabling more informed decision-making, while investors benefit from detailed economic analyses that reduce the risks and uncertainties associated with investing in new technologies.

Discover new materials

PrISMa can accelerate the discovery of high-performance materials for carbon capture, surpassing traditional trial-and-error methods. Its interactive tools allow users to explore more than 1,200 materials and understand the trade-offs between cost, environmental impact and technical performance.

This comprehensive approach ensures that the chosen solutions effectively capture CO₂ while minimizing overall environmental impacts.

According to Smit, PrISMa could be used in particular for the discovery of metal-organic frameworks (MOFs), porous materials with a wide range of applications, including carbon capture. “The idea is that chemists can upload the crystal structures of their MOFs, and the platform classifies these materials for all sorts of capture processes,” he explains. “This way, even chemists who do not have detailed knowledge of carbon capture technologies can get information about which MOFs perform best and why.”

PrISMa can accelerate the development of carbon capture technologies, helping to achieve net-zero emissions by bringing together all relevant stakeholders early in the research process. By providing a comprehensive assessment of materials and processes, PrISMa enables more informed decision-making, leading to the development of more efficient and sustainable carbon capture solutions.

Other contributors

• ETH Zurich
• Solverlo SARL
• Institute of Porous Materials of Paris, ENS-Paris
• Lawrence Berkeley National Laboratory

Reference

Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus McIlwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A. Reimer, André Bardow, Berend Smit and Susana Garcia. Shedding light on stakeholder perspectives on sorbent-based carbon capture. Nature July 17, 2024. DOI: 10.1038/s41586-024-07683-8