4-Scale model for macromolecule conversion over mesoporous and hierarchical alumina catalysts

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18470%2F21%3A50018343" target="_blank" >RIV/62690094:18470/21:50018343 - isvavai.cz</a>

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S1385894720326796?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1385894720326796?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cej.2020.126551" target="_blank" >10.1016/j.cej.2020.126551</a>

Result language

angličtina

Original language name

4-Scale model for macromolecule conversion over mesoporous and hierarchical alumina catalysts

Original language description

Mathematical model for macromolecule catalytic conversion in a flow reactor includes four interconnected numerical calculations of different scales for the following phenomena: effect of increasing the concentration of coke grains and their size (nanometers, scale of coke particles) on porosity, tortuosity, and specific area of the catalyst computing percolation graphs of the mesoporous and hierarchically porous catalysts (dozens of nanometers, scale of percolation graph); kinetic patterns for asphaltene conversion and catalyst deactivation in the mesoporous and hierarchically porous pellets (millimeters, catalyst pellet scale); macrokinetic model for reactor operation filled with mesoporous and hierarchically porous pellets (centimeters, reactor scale). Mathematical instruments involves both discrete (Lubachevsky-Stillinger, Dijkstra algorithm) and continuous (Fick&apos;s law, kinetic equations) methods. Rate constants for kinetic modeling of the reactor operation were extracted by approximating the experimental points for the conversion of asphaltenes at the conditions close to industrial ones by numerically obtained curves. Striking difference in the texture evolution of mesoporous and hierarchical catalysts, observed by both catalytic experiments and theory, during asphaltene conversion (HDAs) resulted in fast deactivation of the first catalyst while the second one showed a long-term stability. The model is an excellent tool for the targeted design of high-performance hierarchical catalysts and catalytic layers and gives new possibilities in selection of the catalyst preparation ways.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

CHEMICAL ENGINEERING JOURNAL

ISSN

1385-8947

e-ISSN

—

Volume of the periodical

405

Issue of the periodical within the volume

February

Country of publishing house

CH - SWITZERLAND

Number of pages

14

Pages from-to

"Article Number: 126551"

UT code for WoS article

000623320500005

EID of the result in the Scopus database

2-s2.0-85089581223