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

William Taifan,Adam A. Arvidsson,Eric Nelson,Anders Hellman,Jonas Baltrusaitis

Catalysis Science & Technology（2017）

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摘要

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.

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

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