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 کاملTheoretical modeling of optical properties of Ag8 and Ag14 silver clusters embedded in an LTA sodalite zeolite cavity.
Optical properties of silver Ag(n) nanoclusters are demonstrated to be dependent on their size, structure and charge state. It is found that when being contained in the sodalite cavity of LTA zeolite the tetradecanuclear hexacation silver cluster Ag14(6+) is stable. Its lower-lying states and optical spectrum are theoretically determined using the quantum chemical TD-DFT method. Its ground stat...
متن کاملSynthesis of Nano Particles of LTA Zeolite by Means of Microemulsion Technique
This mini review article, intends to provide the essential information about microemulsion technique as a reliable approach toward the synthesis of zeolitic nano crystallites. The strategy discussed here provides a unique, effective, and potentially general methodology to the preparation of uniform and high purity nano crystallites of template-free zeolitic materials including LTA, faujasite ty...
متن کاملMonitoring of the crystallization of zeolite LTA using Raman and chemometric tools.
LTA zeolite is used both in industry as well as in laboratories, because of its spatial-specific structure which is useful in gas adsorption and in ion exchange separation. At-line reaction monitoring and multivariate analysis of data, such as Principal Component Analysis (PCA), are fundamentals of the Process Analytical Technology (PAT), which consists of the use of analyzers with rapid detect...
متن کاملAntimicrobial Activity of Silver-Zeolite LTA on Heavily-Contaminated Underground Ghanaian Waters
Zeolite LTA was synthesized in the laboratory and loaded with silver ions by isomorphous substitution technique. The silverloaded zeolite A (Ag-LTA) was characterized by X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and Fourier transformed infrared (FTIR) spectroscopy. XRD and SEM analysis showed little or no changes in the phase purity of a...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4998296