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Chemicals, plastics and rubber industries

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Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: Comparison with the liquid phase

Article Abstract:

Molecular simulations of methanol self-diffusion in DAY and NaY zeolites are carried out by using a fully flexible zeolite force field and are compared with the results obtained for the liquid phase. The diffusivity of the molecules increases in the order NaY < DAY < liquid phase and displays different behaviors as a function of loading, with a constant decrease and a maximum at intermediate coverage for DAY and NaY, respectively.

Author: Maurin, G., Bell, R.G., Plant, D.F.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
All Other Basic Organic Chemical Manufacturing, Methanol

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Distribution of aluminum and boron in the periodical building blocks of boron-containing beta zeolites

Article Abstract:

Various boron only ([B]-BEA) as well as aluminum- and boron-containing beta zeolites ([Al,B]-BEA) are prepared and modified by ion exchange of ammonium, sodium and nickel ions. A new method is presented for the calculation of the distribution of boron and aluminum atoms in the different periodical building units of [B]-BEA and [B,Al]-BEA zeolites.

Author: Koranyi, Tamas I., Nagy, Janos B.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Boron & Compounds, Aluminum Compounds, Analysis, Ion exchange, Boron compounds

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Subjects list: Electric properties, Zeolites
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