Force field for tricalcium silicate and insight into nanoscale properties: Cleavage, initial hydration, and adsorption of organic molecules

Journal of Physical Chemistry C

Volumn 117, Issue 20, 2013, Pages 10417-10432

  Mishra, Ratan K ^a   Flatt, Robert J ^b,c   Heinz, Hendrik ^a  

^a University of Akron   (United States)

^b SIKA TECHNOLOGY AG   (Switzerland)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION OF ORGANIC MOLECULES; ATOMISTIC SIMULATIONS; HYDROXYLATED SURFACES; INTERFACIAL PROPERTY; LOCAL ELECTRIC FIELD; MOLECULAR SIMULATIONS; RECONSTRUCTED SURFACES; SURFACE AND INTERFACE PROPERTIES;

ADSORPTION; AGGLOMERATION; ASPECT RATIO; CALCIUM SILICATE; CEMENTS; ELECTRIC FIELDS; HYDROGEN BONDS; MOLECULES; MONOLAYERS; ORGANIC COMPOUNDS;

HYDRATION;

EID: 84878136266     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp312815g     Document Type: Article

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