Comparative quantum chemical study of stabilization energies of Zn(super 2+) ions in different zeolite structures
Article Abstract:
The experiment was done where the clustered model quantum chemical calculations were performed to compare the stabilization energies of Zn(super 2+) ions in four-, five- and six-membered zeolite rings. The results show that the stabilization energy decreases substantially in different zeolite rings and this trend is useful to study adsorption energy and reactivity of Zn(super 2+) in cationic sites of different zeolites.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
User Contributions:
Comment about this article or add new information about this topic:
Crystallographic study of the reaction of zinc vapor with fully Cd(sub 2+) exchanged zeolite X. Complete reduction of Cd (sub 2+) by Zn, extraction of Si)4(super 4-) and AiO4(super 5-) from the zeolite framework, and reduction of Si(super4+) to Si
Article Abstract:
The reduction of all Cd(super 2+)ions by Zn vapor at 480 degree C , and some Si(super 4+)ions, in a single crystal of fully dehydrated fully Cod(super 2+) exchanged elite X (Cd46Si100Ai92O384 per unit cell) is investigated. The approximate unit-cell composition of the product crystal is found to be Zn64Si96Ai96O384.7SiO4(super 4-),1AiO4(super 5-) (a0=24.713(3) angstrom).
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
User Contributions:
Comment about this article or add new information about this topic:
Self-diffusivities of N2, CH4 and Kr on 4A zeolite pellets by isotope exchange techniques
Article Abstract:
The isotope exchange technique (IET) was used to measure equilibria and kinetics for adsorption of pure N2, CH4 and Kr on a 4A zeolite sample. The intracrystalline self-diffusive for these gases are measured under truly isothermal conditions. The self-diffusivities of Kr and CH4 are smaller than that of N2 by 2 and 1 order of magnitudes, respectively.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Universal quantum mechanical model for solvation free energies based on gas-phase geometries. Prediction of vapor pressures from self-solvation free energies calculated by the SM5 series of universal solvation models
- Abstracts: Molecular adjustment of the electronic properties of nanoporous electrodes in dye-sensitized solar cells. Electrochemical deposition of organic semiconductors on high surface area electrodes for solar cells
- Abstracts: Isotopic and chemical titration of acid sites in tungsten oxide domains supported on zirconia. Structural characterization of molybdenum oxide supported on zirconia
- Abstracts: Free-energy perturbation calculations of DNA destabilization by base substitutions: the effects of neutral guanine.thymine, adenine.cytosine and adenine.difluorotoluene
- Abstracts: Molecular approach to the mechanism of deposition-precipitation of the Ni(II) phase on silica. Ni/SiO2 materials prepared by deposition-precipitation: influence of the reduction conditions and mechanism of formation of metal particles