Natural materials for carbon capture.
Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.
|Creator/Author:||Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA) ; Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA) ; Cygan, Randall Timothy|
|Publication Date:||2010 Nov 01|
|OSTI Identifier:||OSTI ID: 1002102|
|DOE Contract Number:||AC04-94AL85000|
|Other Number(s):||TRN: US201104%%15|
|Resource Type:||Technical Report|
|Research Org:||Sandia National Laboratories|
|Subject:||54 ENVIRONMENTAL SCIENCES; CARBON DIOXIDE; CARBON SEQUESTRATION; MONTMORILLONITE; MOLECULAR DYNAMICS METHOD; VIBRATIONAL STATES|
|Country of Publication:||United States|
|Format:||Size: 33 p.|
|Update Date:||2011 Mar 14|