Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni                         2                         P/SiO                         2

Ayako Iino; Atsushi Takagaki; Ryuji Kikuchi; S. Ted Oyama; Kyoko K. Bando

doi:10.1021/acs.jpcc.8b03246

Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂

Ayako Iino, Atsushi Takagaki, Ryuji Kikuchi, S. Ted Oyama, Kyoko K. Bando

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

This paper deals with a study of the mechanism of hydrodeoxygenation (HDO) at 0.1 MPa and 300-350 °C of 2-methyltetrahydrofuran (2-MTHF) over a Ni ₂ P/SiO ₂ catalyst. The study was conducted using in situ Fourier transform infrared (FTIR) spectroscopy to monitor the adsorbed species during reaction and in situ X-ray absorption fine structure (XAFS) to probe the oxidation state of the Ni component. The work is relevant to the upgrading of bio-oil derived from the pyrolysis of biomass. It was deduced that the initial interaction of the 2-MTHF was with OH groups on the catalyst surface, followed by adsorption on Ni sites. Ring-opening of the tetrahydrofuran led to the formation of the main products of the reaction, n-pentane by HDO and n-butane + CO by decarbonylation. The CO band appeared with a slight delay in the FTIR spectrum because the reaction to form n-pentane was favored and turned over about four times before one n-butane + CO was formed.

Original language	English
Pages (from-to)	7633-7643
Number of pages	11
Journal	Journal of Physical Chemistry C
Volume	123
Issue number	13
DOIs	https://doi.org/10.1021/acs.jpcc.8b03246
Publication status	Published - Apr 4 2019
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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Iino, A., Takagaki, A., Kikuchi, R., Oyama, S. T., & Bando, K. K. (2019). Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂ Journal of Physical Chemistry C, 123(13), 7633-7643. https://doi.org/10.1021/acs.jpcc.8b03246

Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂ . / Iino, Ayako; Takagaki, Atsushi; Kikuchi, Ryuji; Oyama, S. Ted; Bando, Kyoko K.

In: Journal of Physical Chemistry C, Vol. 123, No. 13, 04.04.2019, p. 7633-7643.

Research output: Contribution to journal › Article › peer-review

Iino, A, Takagaki, A, Kikuchi, R, Oyama, ST & Bando, KK 2019, ' Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂ ', Journal of Physical Chemistry C, vol. 123, no. 13, pp. 7633-7643. https://doi.org/10.1021/acs.jpcc.8b03246

Iino A, Takagaki A, Kikuchi R, Oyama ST, Bando KK. Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂ Journal of Physical Chemistry C. 2019 Apr 4;123(13):7633-7643. https://doi.org/10.1021/acs.jpcc.8b03246

Iino, Ayako ; Takagaki, Atsushi ; Kikuchi, Ryuji ; Oyama, S. Ted ; Bando, Kyoko K. / Combined in Situ XAFS and FTIR Study of the Hydrodeoxygenation Reaction of 2-Methyltetrahydrofuran on Ni ₂ P/SiO ₂ In: Journal of Physical Chemistry C. 2019 ; Vol. 123, No. 13. pp. 7633-7643.

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abstract = " This paper deals with a study of the mechanism of hydrodeoxygenation (HDO) at 0.1 MPa and 300-350 °C of 2-methyltetrahydrofuran (2-MTHF) over a Ni 2 P/SiO 2 catalyst. The study was conducted using in situ Fourier transform infrared (FTIR) spectroscopy to monitor the adsorbed species during reaction and in situ X-ray absorption fine structure (XAFS) to probe the oxidation state of the Ni component. The work is relevant to the upgrading of bio-oil derived from the pyrolysis of biomass. It was deduced that the initial interaction of the 2-MTHF was with OH groups on the catalyst surface, followed by adsorption on Ni sites. Ring-opening of the tetrahydrofuran led to the formation of the main products of the reaction, n-pentane by HDO and n-butane + CO by decarbonylation. The CO band appeared with a slight delay in the FTIR spectrum because the reaction to form n-pentane was favored and turned over about four times before one n-butane + CO was formed. ",

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