Molecular dynamics modeling of CO2 and poly(ethylene glycol) in montmorillonite: The structure of clay-polymer composites and the incorporation of CO2

Journal of Physical Chemistry C

Volumn 117, Issue 40, 2013, Pages 20592-20609

  Krishnan, Marimuthu ^a,b   Saharay, Moumita ^b   Kirkpatrick, R James ^c  

^a INTERNATIONAL INSTITUTE OF INFORMATION TECHNOLOGY   (India)

^b MICHIGAN STATE UNIVERSITY   (United States)

^c MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL FORCE FIELDS; COORDINATION ENVIRONMENT; MOLECULAR DYNAMICS MODELING; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SCALE STRUCTURES; STATIC AND DYNAMIC DISORDER; STRUCTURAL ARRANGEMENT; SUPERCRITICAL CONDITION;

CLAY MINERALS; COMPOSITE FILMS; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULES; OXYGEN; POLYETHYLENE GLYCOLS; POSITIVE IONS; SURFACES; SYNTHESIS (CHEMICAL);

CARBON DIOXIDE;

EID: 84885593587     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405321t     Document Type: Article

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