CH4 and H2S reforming to CH3SH and H2 catalyzed by metal-promoted Mo6S8 clusters: a first-principles micro-kinetic study-Reference-Cited by-同舟云学术

CH4 and H2S reforming to CH3SH and H2 catalyzed by metal-promoted Mo6S8 clusters: a first-principles micro-kinetic study

Published:2017 Issue:16 Volume:7 Page:3546-3554
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Taifan William¹²³⁴,Arvidsson Adam A.⁵⁶⁷⁸^ORCID,Nelson Eric¹²³⁴,Hellman Anders⁵⁶⁷⁸^ORCID,Baltrusaitis Jonas¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering

2. Lehigh University

3. Bethlehem

4. USA

5. Department of Physics

6. Chalmers University of Technology

7. SE-421 96 Göteborg

8. Sweden

Abstract

Density Functional Theory (DFT) and microkinetic modelling of CH₄ and H₂S reactions to form CH₃SH and H₂ as a first step in elucidating complex pathways in oxygen-free sour gas reforming was performed.

Funder

Division of Physics

Vetenskapsrådet

Knut och Alice Wallenbergs Stiftelse

National Science Foundation

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CY/C7CY00857K

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