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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

Team

Principal Investigator

Vassiliki-Alexandra Glezakou
Institution
Pacific Northwest National Laboratory

Team Members

David Cantu Cantu
Institution
Pacific Northwest National Laboratory

Malsoon Lee
Institution
Pacific Northwest National Laboratory

Yanggang Wang
Institution
Pacific Northwest National Laboratory

Roger Rousseau
Institution
Pacific Northwest National Laboratory

Bernard McGrail
Institution
Pacific Northwest National Laboratory

Jun Li
Institution
Tsinghua University

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