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Computer model pinpoints prime materials for efficient carbon capture
Date:5/27/2012

eases the amount that can go into making electricity. Calculations show that for a coal-fired power plant, that could amount to approximately 30 percent of total energy generated.

Solid materials should be inherently more energy-efficient than amine scrubbing, because the CO2 can be driven off at lower temperatures. But materials differ significantly in how tightly they grab CO2 and how easily they release it. The best process will be a balance between the two, Smit said.

Smit and his UC Berkeley group worked with Bhown and EPRI scientists to establish the best criteria for a good carbon capture material, focusing on the energy costs of capture, release and compression, and then developed a computer model to calculate this energy consumption for any material. Smit then obtained a database of 4 million zeolite structures compiled by Rice University scientists and ran the structures through his model. Zeolites are porous materials made of silicon dioxide, the same composition as quartz.

The team also computed the energy efficiency of 10,000 MOF structures, which are composites of metals like iron with organic compounds that, together, form a porous structure. That structure has been touted as a way to store hydrogen for fuel or to separate gases during petroleum refining.

"The surprise was that we found many materials, some already known but others hypothetical, that could be synthesized" and work more energy efficiently than amines, Smit said. The best materials used 30 percent less energy than the amine process, though future materials may work even better. The computer model will work for structures other than zeolites and MOFs, Smit said.

Bhown said that the theoretically best material will probably have a parasitic energy cost of about 10 percent, so processes that use 20 percent or less are more attractive.

Key to the team's success was using graphics processing units (GPUs) instead of standard computer centr
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Contact: Robert Sanders
rsanders@berkeley.edu
510-643-6998
University of California - Berkeley
Source:Eurekalert  

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