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Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change

The MgCl(2)–NH(3) reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. The reversible nature of the chemical reaction is captured by including adsorption and desorption terms in the rate expression simultaneously. The kinetic...

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Autores principales: HELVACI, Zeynep Karakaş, KARAKAŞ, Gürkan, ULUDAĞ, Yusuf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Scientific and Technological Research Council of Turkey (TUBITAK) 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10388109/
https://www.ncbi.nlm.nih.gov/pubmed/37529227
http://dx.doi.org/10.55730/1300-0527.3561
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author HELVACI, Zeynep Karakaş
KARAKAŞ, Gürkan
ULUDAĞ, Yusuf
author_facet HELVACI, Zeynep Karakaş
KARAKAŞ, Gürkan
ULUDAĞ, Yusuf
author_sort HELVACI, Zeynep Karakaş
collection PubMed
description The MgCl(2)–NH(3) reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. The reversible nature of the chemical reaction is captured by including adsorption and desorption terms in the rate expression simultaneously. The kinetic coefficients of the adsorption are directly adopted from the literature, while those for the desorption reaction are calculated based on the thermodynamic relations. The impact of changing pressure and pellet porosity are also investigated in the simulations. The initial temperature of the pellet is 300 K in all simulations. Temperature, NH(3) pressure, and conversion distributions in the pellets, along with pellet swelling are obtained and presented as a function of time. The results indicated strong effects of heat transfer resistances in the pellets.
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spelling pubmed-103881092023-08-01 Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change HELVACI, Zeynep Karakaş KARAKAŞ, Gürkan ULUDAĞ, Yusuf Turk J Chem Research Article The MgCl(2)–NH(3) reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. The reversible nature of the chemical reaction is captured by including adsorption and desorption terms in the rate expression simultaneously. The kinetic coefficients of the adsorption are directly adopted from the literature, while those for the desorption reaction are calculated based on the thermodynamic relations. The impact of changing pressure and pellet porosity are also investigated in the simulations. The initial temperature of the pellet is 300 K in all simulations. Temperature, NH(3) pressure, and conversion distributions in the pellets, along with pellet swelling are obtained and presented as a function of time. The results indicated strong effects of heat transfer resistances in the pellets. Scientific and Technological Research Council of Turkey (TUBITAK) 2023-04-07 /pmc/articles/PMC10388109/ /pubmed/37529227 http://dx.doi.org/10.55730/1300-0527.3561 Text en © TÜBİTAK https://creativecommons.org/licenses/by/4.0/This work is licensed under a Creative Commons Attribution 4.0 International License.
spellingShingle Research Article
HELVACI, Zeynep Karakaş
KARAKAŞ, Gürkan
ULUDAĞ, Yusuf
Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title_full Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title_fullStr Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title_full_unstemmed Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title_short Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
title_sort modelling and simulation of chemical reaction of porous mgcl2 pellets with nh3 by including impact of heat and mass transfer and structure change
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10388109/
https://www.ncbi.nlm.nih.gov/pubmed/37529227
http://dx.doi.org/10.55730/1300-0527.3561
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