Carbon management and energy efficiency through chemical reactivity of CO2.
EMSL Project ID
48152
Abstract
Advances in computational software and computer architectures have enabled the study of complicated phenomena resulting from intensified efforts towards energy efficiency, emissions management and catalytic conversions towards renewable forms of energy. The proposed research covers three different classes of systems with relevance to the production, storage and conversion of CO2. The first class of systems considered here, is that of layered alumino-silicate minerals often targeted for co-sequestration. With recent experimental studies demonstrating the mineral ability to intercalate H2O, CO2 and small hydrocarbons, atomistic simulations are expected to provide precious insights on the molecular interactions, geo-mechanical changes and mechanistic details of these systems. Finally, the third effort will focus the catalytic role of supported metal particles in the redox chemistry of CO/CO2.
Project Details
Project type
Exploratory Research
Start Date
2013-12-02
End Date
2014-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Schaef HT, JS Loring, VA Glezakou, QR Miller, J Chen, AT Owen, MS Lee, ES Ilton, AR Felmy, BP McGrail, and CJ Thompson. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Journal of the American Chemical Society 16:248-257. doi:10.1016/j.gca.2015.03.027