منابع مشابه
Periodic modeling of zeolite Ti-LTA.
We have proposed a combination of density functional theory calculations and interatomic potential-based simulations to study the structural, electronic, and mechanical properties of pure-silica zeolite Linde Type A (LTA), as well as two titanium-doped compositions. The energetics of the titanium distribution within the zeolite framework suggest that the inclusion of a second titanium atom with...
متن کاملPhase selection controlled by sodium ions in the synthesis of FAU/LTA composite zeolite.
Zeolite faujasite (FAU), Linde type A (LTA) and FAU/LTA composite have been synthesized using tetramethylammonium cation (TMA+) as template, by adjusting only the concentration of Na+ ions in the initial solution (1.00 Al2O3 4.36 SiO2 : 2.39 (TMA)2 O : β Na2 O : 249.00H2 O). Na+ ions alter the phase composition of the product more than TMA+ or OH- ions. When Na2 O concentration [Na2 O] increase...
متن کاملFirst structural investigation of a super-hydrated zeolite.
Science Highlights First Structural Investigation of a Super-Hydrated Zeolite Yongjae Lee,1 Thomas Vogt,1 Joseph A. Hriljac,2 John B. Parise,3 and Gilberto Artioli4 1Physics Dept, Brookhaven National Laboratory, Upton, NY 2School of Chemical Sciences, The University of Birmingham, Birmingham, UK 3Geosciences Dept, State University of New York, Stony Brook, NY 4University Milan, Dipartimento Sci...
متن کاملOptical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite.
The optical spectra in the UV-VIS region of the hydrated doubly charged tetramer Ag4(2+) and hydrated multiply charged hexamer Ag6(p+) silver clusters encapsulated inside the sodalite cavity of an LTA-type zeolite have been systematically predicted using DFT, TD-DFT and CASSCF/CASPT2 methods. The optical behaviour of the model hydrated clusters [Ag6(H2O)8(Si24H24O36)](p+) is very sensitive to t...
متن کاملFramework stabilization of Si-rich LTA zeolite prepared in organic-free media.
Zeolite HOU-2 (LTA type) is prepared with the highest silica content (Si/Al = 2.1) reported for Na-LTA zeolites without the use of an organic structure-directing agent. The rational design of Si-rich zeolites has the potential to improve their thermal stability for applications in catalysis, gas storage, and selective separations.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Microporous and Mesoporous Materials
سال: 2005
ISSN: 1387-1811
DOI: 10.1016/j.micromeso.2004.10.006