Phenomenology and modeling of Y2O3 porous grain sintering

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F23%3A43897140" target="_blank" >RIV/44555601:13440/23:43897140 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0272884222041323?dgcid=coauthor" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0272884222041323?dgcid=coauthor</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ceramint.2022.11.110" target="_blank" >10.1016/j.ceramint.2022.11.110</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Phenomenology and modeling of Y2O3 porous grain sintering

Popis výsledku v původním jazyce

Yttrium oxide has promising characteristics such as chemical stability and a porous structure for various high-temperature applications in catalysis and chemical engineering. The prediction of the structural properties of Y2O3 presents a computational challenge.In this study, we implemented a phase-field approach to obtain a precise description of the Y2O3 sintering process over a wide range of temperatures. In the phase-field method, the microstructure is described by a system of continuous variables that model Y2O3 crystallites, where the microstructure interfaces have a finite width over which the material transfers.The experiments on stepwise sintering process were carried out and the obtained data on the textural and morphological properties of Y2O3 particles were used to calibrate and validate the numerical model. The evolution of the specific surface area and pore volume for the pores ranging from 3 to 70 nm and the rate of growth of Y2O3 crystallites during sintering of Y2O3 grains were effectively predicted. The obtained model indicates that a stepwise increase in the calcination temperature from 600 to 900 and 1200 oC decreases the surface area of the materials from 54 to 15 and 5 m2/g, respectively.This study can be used to predict the textural properties of yttrium oxide during the sintering of porous ceramics and for the exploitation of catalyst systems.

Název v anglickém jazyce

Phenomenology and modeling of Y2O3 porous grain sintering

Popis výsledku anglicky

Yttrium oxide has promising characteristics such as chemical stability and a porous structure for various high-temperature applications in catalysis and chemical engineering. The prediction of the structural properties of Y2O3 presents a computational challenge.In this study, we implemented a phase-field approach to obtain a precise description of the Y2O3 sintering process over a wide range of temperatures. In the phase-field method, the microstructure is described by a system of continuous variables that model Y2O3 crystallites, where the microstructure interfaces have a finite width over which the material transfers.The experiments on stepwise sintering process were carried out and the obtained data on the textural and morphological properties of Y2O3 particles were used to calibrate and validate the numerical model. The evolution of the specific surface area and pore volume for the pores ranging from 3 to 70 nm and the rate of growth of Y2O3 crystallites during sintering of Y2O3 grains were effectively predicted. The obtained model indicates that a stepwise increase in the calcination temperature from 600 to 900 and 1200 oC decreases the surface area of the materials from 54 to 15 and 5 m2/g, respectively.This study can be used to predict the textural properties of yttrium oxide during the sintering of porous ceramics and for the exploitation of catalyst systems.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10102 - Applied mathematics

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Ceramics International

ISSN

0272-8842

e-ISSN

1873-3956

Svazek periodika

2022

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

9452-9464

Kód UT WoS článku

000944315900001

EID výsledku v databázi Scopus

2-s2.0-85142334392