Atomistic simulations of water and organic templates occluded during the synthesis of zeolites

Microporous and Mesoporous Materials

Volumn 129, Issue 1-2, 2010, Pages 42-53

  Bushuev, Yuriy G ^a   Sastre, German ^a  

^a INSTITUTO DE TECNOLOGÍA QUÍMICA   (Spain)

Author keywords

Computer simulation; Forcefield; ITH zeolite; Water in zeolites; Zeolites

Indexed keywords

ATOMISTIC SIMULATIONS; FLUORIDE ANIONS; FORCEFIELD; FORCEFIELDS; HEATS OF FORMATION; ORGANIC CATIONS; ORGANIC TEMPLATES; PURE SILICA; SILICA POLYMORPHS; THERMODYNAMIC BEHAVIORS; ZEOLITE-WATER;

COMPUTATIONAL METHODS; MATHEMATICAL MODELS; SILICA; SILICATE MINERALS; SIMULATORS;

ZEOLITES;

EID: 71549130749     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2009.08.031     Document Type: Article

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