Detailed Modeling of Sorptive and Textural Properties of CaO-Based Sorbents with Various Porous Structures | Sciact - CRIS-system of Boreskov Institute of Catalysis

Detailed Modeling of Sorptive and Textural Properties of CaO-Based Sorbents with Various Porous Structures Full article

Journal

Separation and Purification Technology
ISSN: 1383-5866

Output data

Year: 2021, Volume: 255, Article number : 117746, Pages count : 8 DOI: 10.1016/j.seppur.2020.117746

Tags

Calcium oxide; Modeling; Porous structure; Sintering; Sorbent; Template

Authors

Bazaikin Ya.V. ^1,3,4 , Malkovich E.G. ^1,3 , Prokhorov D.I. ³ , Derevschikov V.S. ^2,3,5,6

Affiliations

1	Sobolev Institute of Mathematics, pr.Koptyuga 4, Novosibirsk 630090, Russia
2	Boreskov Institute of Catalysis, Lavrent'ev Ave. 5, Novosibirsk 630090, Russia
3	Novosibirsk State University, str. Pirogova 2, Novosibirsk 630090, Russia
4	University of Hradec Kralove, Rokitanskeho 62, Hradec Kralove 50003, Czech Republic
5	Novosibirsk State Technical University, pr. K. Marksa 20, Novosibirsk 630073, Russia
6	Tallinn University of Technology, Ehitajate tee 5, Tallinn 19086, Estonia

Funding (6)

1	Federal Agency for Scientific Organizations	0303-2016-0016
2	Russian Foundation for Basic Research	19-43-543013 (АААА-А19-119052190005-3)
3	Russian Science Foundation	19-73-00079
4	Ministry of Science and Higher Education of the Russian Federation	075-15-2019-1675
5	University of Hradec Králové
6	Tallinn University of Technology

In the current study, the volume-sintering model was implemented for the simulation of sorption/desorption and textural evolution of the set of CaO-based sorbents with broad differences in porous structure. The porous structure of the materials was modeled with the dense random packing of spheres using the Lubachevsky–Stillinger compression algorithm. The simulated packages were fitted to the parameters of the porous structure of real templated and non-templated CaO-based sorbents. The sintering of the packages during sorption/regeneration cycles was carried out based on the assumptions of the lattice diffusion mechanism and the sintering rate of CaCO3 being higher than that of CaO in the proposed model. The obtained model predicts well the dependence of textural changes and the recarbonation extent on the number of the sorption/regeneration cycles for the sorbents with different porosity and grain size. © 2020 Elsevier B.V.

Bazaikin Y.V. , Malkovich E.G. , Prokhorov D.I. , Derevschikov V.S.
Detailed Modeling of Sorptive and Textural Properties of CaO-Based Sorbents with Various Porous Structures
Separation and Purification Technology. 2021. V.255. 117746 :1-8. DOI: 10.1016/j.seppur.2020.117746 WOS Scopus РИНЦ AN OpenAlex

Submitted:	Mar 23, 2020
Accepted:	Sep 11, 2020
Published online:	Sep 22, 2020
Published print:	Jan 15, 2021

Web of science:	WOS:000633041000003
Scopus:	2-s2.0-85091796633
Elibrary:	45257937
Chemical Abstracts:	2020:2063691
OpenAlex:	W3088538281

DB	Citing
Scopus	10
Web of science	8
Elibrary	6
OpenAlex	11