Issue 47, 2022

Anisole hydrodeoxygenation over Ni–Co bimetallic catalyst: a combination of experimental, kinetic and DFT study

Abstract

Catalytic hydrodeoxygenation (HDO) of anisole was performed with a series of Ni and Co containing catalysts with different weight ratios on activated carbon (AC) for cyclohexanol production. The catalytic activities of various catalysts revealed that Ni5Co5-AC was the best catalytic system. Structural analysis obtained from XRD, TPR, XPS, and TEM evidently demonstrates that Ni5Co5-AC sample consists of a distorted metal alloy spinel structure and optimum particle size, enhancing its catalytic performance. Kinetics were investigated to identify cyclohexanol production rate, activation energy, and reaction pathway. Structural, experimental, kinetics and density functional simulations suggested that high amount of distorted metallic alloy in Ni5Co5-AC, presence of water, high adsorption efficiency of anisole, and low adsorption tendency of cyclohexanol on metallic alloy surface were the critical factors for HDO of anisole to cyclohexanol.

Graphical abstract: Anisole hydrodeoxygenation over Ni–Co bimetallic catalyst: a combination of experimental, kinetic and DFT study

Supplementary files

Article information

Article type
Paper
Submitted
16 8 2022
Accepted
28 9 2022
First published
26 10 2022
This article is Open Access
Creative Commons BY license

RSC Adv., 2022,12, 30236-30247

Anisole hydrodeoxygenation over Ni–Co bimetallic catalyst: a combination of experimental, kinetic and DFT study

A. Kumar, M. Jindal, S. Rawat, A. Sahoo, R. Verma, D. Chandra, S. Kumar, B. Thallada and B. Yang, RSC Adv., 2022, 12, 30236 DOI: 10.1039/D2RA05136B

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