Lattice resistance to hydrolysis of Si - O - Si bonds of silicate minerals: Ab initio calculations of a single water attack onto the (001) and (111) β-cristobalite surfaces

Journal of Physical Chemistry B

Volumn 104, Issue 24, 2000, Pages 5779-5783

  Pelmenschikov, Alexander ^a,b,c   Strandh, Helene ^a,b   Pettersson, Lars G M ^a,b,c   Leszczynski, Jerzy ^a,b  

^a Jackson State University   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c Box 6730 ^*  (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL RELAXATION; CRYSTAL LATTICES; CRYSTAL ORIENTATION; HYDROGEN BONDS; HYDROLYSIS; MATHEMATICAL MODELS; SILICA; WATER;

BETA CRISTOBALITE; DENSITY FUNCTIONAL THEORY (DFT); LATTICE RESISTANCE;

SILICATE MINERALS;

EID: 0033700763     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994097r     Document Type: Article

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