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Title: Natural materials for carbon capture.

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.
Authors: ; ;
Publication Date:
OSTI Identifier:OSTI ID: 1002102
Report Number(s):SAND2010-7217
TRN: US201104%%15
DOE Contract Number:AC04-94AL85000
Resource Type:Technical Report
Research Org:Sandia National Laboratories
Sponsoring Org:USDOE
Country of Publication:United States
Language:English
Subject: 54 ENVIRONMENTAL SCIENCES; CARBON DIOXIDE; CARBON SEQUESTRATION; MONTMORILLONITE; MOLECULAR DYNAMICS METHOD; VIBRATIONAL STATES