Density functional modeling of the local structure of kaolinite subjected to thermal dehydroxylation

Journal of Physical Chemistry A

Volumn 114, Issue 14, 2010, Pages 4988-4996

  White, Claire E ^a   Provis, John L ^a   Proffen, Thomas ^b   Riley, Daniel P ^a   Van Deventer, Jannie S J ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC LEVELS; ATOMIC STRUCTURE; DEHYDROXYLATIONS; DENSITY FUNCTIONAL MODELING; EXPERIMENTAL TECHNIQUES; GEOMETRY OPTIMIZATION; LARGE-SCALE INDUSTRIAL PROCESS; LOCAL STRUCTURE; METAKAOLINS; PAIR DISTRIBUTION FUNCTIONS; REFINED STRUCTURES; STRUCTURAL CHANGE; THERMODYNAMIC INFORMATION; WATER MOLECULE; X-RAY AMORPHOUS;

ALUMINOSILICATES; DENSITY FUNCTIONAL THEORY; DISTRIBUTION FUNCTIONS; KAOLINITE;

STRUCTURAL OPTIMIZATION;

EID: 77950635312     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911108d     Document Type: Article

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