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A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
Name: Nuttapat Kerdprasit
Organization :
Chulalongkorn University. Faculty of Engineering
Email :
nuttapat.k2021@gmail.com
Name: Tinnakorn Saelee
Organization :
Chulalongkorn University. Faculty of Engineering
Name: Meena Rittiruam
Organization :
Chulalongkorn University. Faculty of Engineering
Name: Supareak Prasertdam
Organization :
Chulalongkorn University. Faculty of Engineering
Email :
supareak.p@chula.ac.th
Name: Piyasan Praserthdam
Organization :
Chulalongkorn University. Faculty of Engineering
keyword:
Density Functional Theory
LCSH:
Nickel catalysts
LCSH:
Methane as fuel
Abstract:
The dry reforming of methane (DRM) is one of the promising processes employing catalysts to mitigate greenhouse gas (GHG). Among available DRM catalysts, Ni-based catalysts supported on γ-Al2O3 (Ni/γ-Al2O3) are widely used because of their low price and high DRM activity. However, the stability of Ni/Al2O3 catalysts including Ni sintering and Ni leaching during the reaction condition is still a challenge. The root cause of this deactivation can be tracked down to the binding strength between the Ni and γ-Al2O3 support. Many experimental observations suggest that the addition of a promoter can strengthen the interaction between Ni and Al2O3 support. Thus, the presence of promoters can prevent the deactivation of catalysts during DRM. However, the understanding of promoter effect on improving Ni and Al2O3 interaction is still not well established. Herein, the surface properties of γ-Al2O3(110) support and the adsorption strength of Ni active sites on catalysts were investigated via density functional theory (DFT). The suitable promoters of alkaline earth and lanthanide metals, Mg and La, were selected, respectively. Subsequently, a four-atom Ni cluster (Ni4) was deposited on clean γ-Al2O3(110) and promoted γ-Al2O3(110) designated as Mg/γ-Al2O3(110) and La/γ-Al2O3(110). The electronics properties, as well as interactions of Ni4 on γ-Al2O3(110), Mg/γ-Al2O3(110), and La/γ-Al2O3(110), are discussed. The presence of Mg and La promoters creates a charge depletion region on the γ-Al2O3(110) surface, which is suitable for receiving electrons from the Ni4 cluster strengthening the interaction between the metal and support
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2022
Modified:
2022-12-13
Issued:
2022-12-13
BibliograpyCitation :
In Naresuan University. The 31st Thai Institute of Chemical Engineering and Applied Chemistry Conference (TiCHE 2022) (pp.196-205). Phitsanulok : Naresuan University
eng
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0.022805 วินาที
Nuttapat Kerdprasit
| Title | Contributor | Type |
|---|---|---|
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article |
Tinnakorn Saelee
| Title | Contributor | Type |
|---|---|---|
| A comparative study on effects of water adsorption during water-gas shift reaction of PT-based metal and high-entropy alloy catalysts via density functional theory
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Suphawich Boonchuay;Tinnakorn Saelee;Meena Rittiruam;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| Density functional theory investigation on adsorption energy of OOH, O and OH on Pd-doped alpha-MnO2 during oxygen reduction reaction in rechargeable Zn-air Batteries
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttanon Aumnongpho;Meena Rittiruam;Tinnakorn Saelee;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on how external oxygen enhances the Fe2O3 catalyst stability during hydrogen sulfide removal process
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sorawee Setasuban;Tinnakorn Saelee;Meena Rittiruam;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article |
Meena Rittiruam
| Title | Contributor | Type |
|---|
Supareak Prasertdam
| Title | Contributor | Type |
|---|---|---|
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article |
Piyasan Praserthdam
| Title | Contributor | Type |
|---|---|---|
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| A study on methylene blue degradation by Copper(II) oxide/Titanium dioxide photocatalyst coated on plastic films operated under visible-light
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| A comparative study on effects of water adsorption during water-gas shift reaction of PT-based metal and high-entropy alloy catalysts via density functional theory
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| Density functional theory investigation on adsorption energy of OOH, O and OH on Pd-doped alpha-MnO2 during oxygen reduction reaction in rechargeable Zn-air Batteries
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttanon Aumnongpho;Meena Rittiruam;Tinnakorn Saelee;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on how external oxygen enhances the Fe2O3 catalyst stability during hydrogen sulfide removal process
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| Effects of yttrium metal loading on V2Os/TiO2 catalyst in the selective oxidation of H2S
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| Characterization of Mg(OEt)2/vanadium Ziegler-Natta catalyst for ethylene/1-hexene copolymerization
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| Effect of silicon compounds on synthesis of TiCl4/MgCl2-Ziegler-Natta catalysts for ethylene/1-hexene copolymerization
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