Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst Full article
Journal |
The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207 |
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Output data | Year: 2005, Volume: 109, Number: 43, Pages: 20051-20054 Pages count : 4 DOI: 10.1021/jp052642k | ||
Tags | Catalysts; Computer simulation; Mathematical models; Monte Carlo methods; Pore size; Sulfuric acid; Vanadium compounds | ||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Foundation for Basic Research | 99-03-32425 |
Abstract:
Metropolis Monte Carlo technique has been applied to simulate the crystallization process in the melt of vanadium sulfuric acid supported catalysts. The melt is a lattice binary compound consisting of (V4+)2 and (V5+)2 binuclear complexes (dimers) confined by pore walls of cylindrical or slitlike shape. It has been shown that the crystallization process retards significantly as the pore size decreases. This result is in good agreement with the experimental data obtained earlier. The effect of the energy properties of pore walls (attractive, repulsive, or inert) on the crystallization features has been studied as well.
Cite:
Efremov D.
, Elokhin V.
, Bal'zhinimaev B.
Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst
The Journal of Physical Chemistry B. 2005. V.109. N43. P.20051-20054. DOI: 10.1021/jp052642k WOS Scopus РИНЦ
Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst
The Journal of Physical Chemistry B. 2005. V.109. N43. P.20051-20054. DOI: 10.1021/jp052642k WOS Scopus РИНЦ
Dates:
Submitted: | May 20, 2005 |
Accepted: | Sep 21, 2005 |
Published online: | Oct 7, 2005 |
Published print: | Nov 1, 2005 |
Identifiers:
Web of science | WOS:000232959800001 |
Scopus | 2-s2.0-27744555235 |
Elibrary | 13495783 |
Chemical Abstracts | 2005:1071147 |
Chemical Abstracts (print) | 143:333504 |
PMID | 16853590 |
OpenAlex | W2076811470 |
Citing:
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