Enhanced Ethylene Production from Electrocatalytic Acetylene Semi-hydrogenation Over Porous Carbon-Supported Cu Nanoparticles

Li, Li; Chen, Fanpeng; Zhao, Bo-Hang; Yu, Yifu

doi:10.1007/s12209-024-00399-w

Trans. Tianjin Univ.

2024

DOI: 10.1007/s12209-024-00399-w

|View full text |Cite

Enhanced Ethylene Production from Electrocatalytic Acetylene Semi-hydrogenation Over Porous Carbon-Supported Cu Nanoparticles

Li Li,

Fanpeng Chen,

Bo-Hang Zhao

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Microkinetic Modeling with Intermediate Density Effects Identify the Key Factors in Selective Acetylene Hydrogenation on PdAg(111)

Li,

Yao,

Zhao

et al. 2024

J. Phys. Chem. C

View full text Add to dashboard Cite

Selective acetylene hydrogenation, a crucial industrial reaction, has been extensively studied for decades yet continues to present unresolved challenges. This work presents a comprehensive microkinetic model, derived from density functional theory calculations, aimed at providing a detailed understanding of the key impact of acetylene hydrogenation on the PdAg(111) surface. This with intermediate density(coverage) effects kinetic simulation, which considers both self-and crossinteractions among adsorbates and the influence of intermediate density on the transition states of each elementary step, is contrasted with a nonintermediate density effects kinetic calculation derived from energies determined at low density. Kinetic results reveal that the key intermediate CH 2 CH 3 in the formation of ethane is generated via CHCH 2 * + H* → CHCH 3 * + * and CHCH 3 * + H* → CH 2 CH 3 * + * rather than the hydrogenation of CH 2 CH 2 *. We demonstrate that the intermediate density effect kinetic model yields a turnover frequency (TOF) that is roughly 28 orders of magnitude greater than the TOF obtained from the nonintermediate density effect kinetic model. The microkinetic outcomes, including activity and selectivity, align satisfactorily with experimental. Extensive kinetic analyses have been performed, revealing that the introduction of Ag makes the rate controlling step of the reaction activity shift to hydrogen dissociation.

show abstract

Microkinetic Modeling with Intermediate Density Effects Identify the Key Factors in Selective Acetylene Hydrogenation on PdAg(111)

Li,

Yao,

Zhao

et al. 2024

J. Phys. Chem. C

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Enhanced Ethylene Production from Electrocatalytic Acetylene Semi-hydrogenation Over Porous Carbon-Supported Cu Nanoparticles

Cited by 1 publication

References 23 publications

Microkinetic Modeling with Intermediate Density Effects Identify the Key Factors in Selective Acetylene Hydrogenation on PdAg(111)

Microkinetic Modeling with Intermediate Density Effects Identify the Key Factors in Selective Acetylene Hydrogenation on PdAg(111)

Contact Info

Product

Resources

About