Ab Initio Calculations for the Substitutions of Al(OH)-4 and SO2-4 with Si Tetrahedra

Journal of Nuclear Science and Technology

Volumn 38, Issue 7, 2001, Pages 533-541

  Rahman, Mazibur ^a   Nagasaki, Shinya ^a   Tanaka, Satoru ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Ab initio calculations; Activated energy; Calcium oxides; Energy difference; Ettringite; Gels; Interactions; Silicon oxides; Substitution phenomena; Water

Indexed keywords

ACTIVATION ENERGY; COMPUTATIONAL METHODS; LIME; SILICA; SILICON; STRUCTURE (COMPOSITION); THERMODYNAMICS;

CHEMICAL EQUILIBRIUM; ENERGY DIFFERENCE; ETTRINGITE;

SUBSTITUTION REACTIONS;

EID: 0035387919     PISSN: 00223131     EISSN: None     Source Type: Journal    
DOI: 10.1080/18811248.2001.9715064     Document Type: Article

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