New Chemical Compounds for Cost-Effective Carbon Capture
Identifying novel carbon capture compounds for combustion systems.
Regents of the University of California, Davis
Recipient
Davis, CA
Recipient Location
3rd
Senate District
4th
Assembly District
$199,998
Amount Spent
Completed
Project Status
Project Result
The research team completed simulation and optimization of candidate carbon capturing molecules using a number of complementary molecular dynamics simulations that enable characterization of properties germane to regeneration energy and thus have potential to offer cost-effective approaches to post-combustion capture of carbon dioxide. In 2020, the research team modeled a carbon capture process in a typical electricity producing power plant for chemical compounds identified as promising candidates for improving cost-effectiveness of carbon capture and sequestration. This modeling exercise suggested a high cyclic efficiency (approximately 98%) of candidate compounds and suggest promise for further exploration in laboratory settings. A draft final report was submitted in summer of 2020 and is expected to be published by early 2022.
The Issue
Carbon capture and sequestration could play a role in attaining California's ambitious goal of zero-carbon electricity by 2045. Additionally, carbon capture and sequestration could provide a negative emissions pathway for offsetting emissions elsewhere in California's economy if coupled with generation from carbon neutral biomass. However, currently available chemical compounds for capture of carbon dioxide are cost-prohibitive and have several undesirable properties, including large regeneration energies, high production costs, and potentially toxic byproducts.
Project Innovation
This project uses computational chemistry to support the identification and characterization of new chemical compounds that can safely and economically capture carbon dioxide (CO2) from the stacks of power plants and other large point source emitters. Specifically, the project screens bioinspired compounds derived from chemicals used by about 25% of all plants to capture carbon dioxide from the atmosphere at night and store it for photosynthesis during daylight hours.
Project Benefits
This project uses innovative ab initio quantum mechanical and molecular dynamics simulations to design and characterize carbon capturing compounds, mimicking processes previously discovered in plants in arid areas. The organic phosphoenolpyruvate (PEP) compounds in these plants store and release CO2 in a similar manner as the currently used inorganic amines. Organic molecules can be modified in a way that adjusts their reaction enthalpy, solubility, viscosity, and reaction rate to be an inexpensive, non-toxic substitute for amines in carbon capture.
Affordability
Improved solubility of potential carbon capturing molecules in water instead of expensive organic solvents would result in significant cost savings if applied in large-scale carbon capture processes.
Environmental Sustainability
A path for a significant reduction of greenhouse gas emissions from fossil fuel burning energy systems could be developed based on successful project results.
Key Project Members
Anthony Wexler
