Microkinetic and sensitivity analysis of oxidative dry reforming of methane on Ni–Co catalyst using a reaction mechanism based on Ni. Issue 11 (21st September 2021)

• Record Type: Journal Article
• Authors: Russel, A. S.; Chaudhary, Puneet Kumar; Jain, Pulkit; Deo, Goutam
• Is Part Of: Reaction chemistry & engineering. Volume 6:Issue 11(2021)
• Page Start: 2104
• Page End: 2113
• Publication Date: 2021-09-21
• Subjects: Reaction mechanisms (Chemistry) -- Periodicals; Chemical engineering -- Periodicals; Chemical engineering; Reaction mechanisms (Chemistry); Periodicals; 547.705
• DOI: 10.1039/d1re00086a
• Languages: English
• ISSNs: 2058-9883

Abstract

Abstract : Microkinetic modelling performed for ODRM reaction. Effects of temperature and space–time variations match well with experimental data. Sensitivity analysis was performed to provide a reduced mechanism. Abstract : Microkinetic modelling of dry reforming of methane (DRM) with O2 co-feed was performed using a previously developed reforming mechanism. The model was validated by comparing simulated results with experimentally determined data over a variety of reaction conditions. Numerically predicted results show that co-feeding O2 improved CH4 conversion, reduced carbon deposition, and increased H2 /CO ratio. Microkinetic analysis shows that during oxidative dry reforming of methane (ODRM), the surface coverage of empty sites tracks the CH4 conversion. Furthermore, the H2 /CO ratio is directly related to the surface H* and CO* coverages. Sensitivity analysis highlighted that CH4 dissociation is the rate-determining step for ODRM reaction, and the adsorption–desorption steps are equilibrated. We were able to obtain a reduced mechanism (35 steps) for ODRM by applying a previously suggested hierarchical chemistry reduction strategy on the full mechanism (52 steps). The apparent activation energy for CH4 consumption and orders of the reaction were also determined.