Natural materials for carbon capture.

Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA) ; Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA) ; Cygan, Randall Timothy

Sandia National Laboratories

关键词: Vibrational States;    Carbon Dioxide;    Montmorillonite;    54 Environmental Sciences;    Molecular Dynamics Method;   

DOI  :  10.2172/1002102
RP-ID  :  SAND2010-7217
RP-ID  :  AC04-94AL85000
RP-ID  :  1002102

美国|英语

来源: UNT Digital Library

【 摘 要 】

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.