Water solubility in calcium aluminosilicate glasses investigated by first principles techniques

Journal of Solid State Chemistry

Volumn 183, Issue 12, 2010, Pages 2786-2796

  Bouyer, Frédéric ^a   Geneste, Grégory ^b   Ispas, Simona ^c   Kob, Walter ^c   Ganster, Patrick ^d  

^a SECM   (France)

^b DIF   (France)

^c UNIVERSITÉ MONTPELLIER 2   (France)

^d Ecole Nationale Superieure des Mines   (France)

Author keywords

Aluminosilicate; First principles calculations; Glass leaching; Hydrolysis; Reactivity in glass; SIESTA

Indexed keywords

CALCIUM ALUMINOSILICATE GLASS; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERAL MODEL; GLASS LEACHING; HYDROLYSIS REACTION; IONIC CHARGE; LOCAL DISORDER; NETWORK MODIFIERS; REACTIVITY IN GLASS; SIESTA; WATER SOLUBILITIES;

ALUMINOSILICATES; ALUMINUM; ASSOCIATION REACTIONS; HYDROLYSIS; LEACHING; METALLIC GLASS; SILICON;

GLASS;

EID: 78649812382     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2010.08.031     Document Type: Article

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