Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts

Anurag Kumar; Aditya Bhan

doi:10.1016/j.ces.2018.12.027

Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts

Anurag Kumar, Aditya Bhan

Chemical Engineering and Materials Science

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

22 Scopus citations

Abstract

Oxygen-treatment of as-synthesized molybdenum carbide at 296 K–423 K and subsequent temperature-programmed-surface-reaction with hydrogen was utilized to obtain oxygen-modified Mo₂C (O:Mo_bulk = 0.002 for Fresh-Mo₂C to O:Mo_bulk = 0.276 for Mo₂C oxygen treated at 423 K) formulations. Benzene selectivity decreased from 97% at O:Mo_bulk = 0.002 to 18% at O:Mo_bulk = 0.276 while phenol selectivity concurrently increased from 0.2% at O:Mo_bulk = 0.002 to 81% at O:Mo_bulk = 0.276 in reactions of anisole/hydrogen mixtures at atmospheric pressure and 423 K showing that O^* content can be used to tune the product selectivity in hydrodeoxygenation reactions on transition metal carbides. This change in selectivity can plausibly be ascribed to the formation of MoO_x/MoO_xC_y species that disrupts ensembles required for selective aromatic C–O bond cleavage.

Original language	English (US)
Pages (from-to)	371-378
Number of pages	8
Journal	Chemical Engineering Science
Volume	197
DOIs	https://doi.org/10.1016/j.ces.2018.12.027
State	Published - Apr 6 2019

Bibliographical note

Funding Information:
This research was supported by National Science Foundation Catalysis and Biocatalysis Program ( CBET Award No. 1510661 ). Prof. Rakesh Agrawal’s extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source.

Funding Information:
This research was supported by National Science Foundation Catalysis and Biocatalysis Program (CBET Award No. 1510661). Prof. Rakesh Agrawal's extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source.

Publisher Copyright:
© 2018 Elsevier Ltd

Keywords

Anisole
Hydrodeoxygenation
Molybdenum carbide
Oxygen treatment

Publisher link

10.1016/j.ces.2018.12.027

Find It

Find It at U of M Libraries

Cite this

@article{2740626bf96f4b228d08f615116e9d63,

title = "Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts",

abstract = "Oxygen-treatment of as-synthesized molybdenum carbide at 296 K–423 K and subsequent temperature-programmed-surface-reaction with hydrogen was utilized to obtain oxygen-modified Mo2C (O:Mobulk = 0.002 for Fresh-Mo2C to O:Mobulk = 0.276 for Mo2C oxygen treated at 423 K) formulations. Benzene selectivity decreased from 97% at O:Mobulk = 0.002 to 18% at O:Mobulk = 0.276 while phenol selectivity concurrently increased from 0.2% at O:Mobulk = 0.002 to 81% at O:Mobulk = 0.276 in reactions of anisole/hydrogen mixtures at atmospheric pressure and 423 K showing that O* content can be used to tune the product selectivity in hydrodeoxygenation reactions on transition metal carbides. This change in selectivity can plausibly be ascribed to the formation of MoOx/MoOxCy species that disrupts ensembles required for selective aromatic C–O bond cleavage.",

keywords = "Anisole, Hydrodeoxygenation, Molybdenum carbide, Oxygen treatment",

author = "Anurag Kumar and Aditya Bhan",

note = "Funding Information: This research was supported by National Science Foundation Catalysis and Biocatalysis Program ( CBET Award No. 1510661 ). Prof. Rakesh Agrawal{\textquoteright}s extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source. Funding Information: This research was supported by National Science Foundation Catalysis and Biocatalysis Program (CBET Award No. 1510661). Prof. Rakesh Agrawal's extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source. Publisher Copyright: {\textcopyright} 2018 Elsevier Ltd",

year = "2019",

month = apr,

day = "6",

doi = "10.1016/j.ces.2018.12.027",

language = "English (US)",

volume = "197",

pages = "371--378",

journal = "Chemical Engineering Science",

issn = "0009-2509",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts

AU - Kumar, Anurag

AU - Bhan, Aditya

N1 - Funding Information: This research was supported by National Science Foundation Catalysis and Biocatalysis Program ( CBET Award No. 1510661 ). Prof. Rakesh Agrawal’s extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source. Funding Information: This research was supported by National Science Foundation Catalysis and Biocatalysis Program (CBET Award No. 1510661). Prof. Rakesh Agrawal's extensive research in the area of sustainable energy development has provided us the motivation and encouragement to pursue fundamental catalysis research in the utilization of biomass as an alternate carbon and energy source. Publisher Copyright: © 2018 Elsevier Ltd

PY - 2019/4/6

Y1 - 2019/4/6

N2 - Oxygen-treatment of as-synthesized molybdenum carbide at 296 K–423 K and subsequent temperature-programmed-surface-reaction with hydrogen was utilized to obtain oxygen-modified Mo2C (O:Mobulk = 0.002 for Fresh-Mo2C to O:Mobulk = 0.276 for Mo2C oxygen treated at 423 K) formulations. Benzene selectivity decreased from 97% at O:Mobulk = 0.002 to 18% at O:Mobulk = 0.276 while phenol selectivity concurrently increased from 0.2% at O:Mobulk = 0.002 to 81% at O:Mobulk = 0.276 in reactions of anisole/hydrogen mixtures at atmospheric pressure and 423 K showing that O* content can be used to tune the product selectivity in hydrodeoxygenation reactions on transition metal carbides. This change in selectivity can plausibly be ascribed to the formation of MoOx/MoOxCy species that disrupts ensembles required for selective aromatic C–O bond cleavage.

AB - Oxygen-treatment of as-synthesized molybdenum carbide at 296 K–423 K and subsequent temperature-programmed-surface-reaction with hydrogen was utilized to obtain oxygen-modified Mo2C (O:Mobulk = 0.002 for Fresh-Mo2C to O:Mobulk = 0.276 for Mo2C oxygen treated at 423 K) formulations. Benzene selectivity decreased from 97% at O:Mobulk = 0.002 to 18% at O:Mobulk = 0.276 while phenol selectivity concurrently increased from 0.2% at O:Mobulk = 0.002 to 81% at O:Mobulk = 0.276 in reactions of anisole/hydrogen mixtures at atmospheric pressure and 423 K showing that O* content can be used to tune the product selectivity in hydrodeoxygenation reactions on transition metal carbides. This change in selectivity can plausibly be ascribed to the formation of MoOx/MoOxCy species that disrupts ensembles required for selective aromatic C–O bond cleavage.

KW - Anisole

KW - Hydrodeoxygenation

KW - Molybdenum carbide

KW - Oxygen treatment

UR - http://www.scopus.com/inward/record.url?scp=85060196090&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85060196090&partnerID=8YFLogxK

U2 - 10.1016/j.ces.2018.12.027

DO - 10.1016/j.ces.2018.12.027

M3 - Article

AN - SCOPUS:85060196090

SN - 0009-2509

VL - 197

SP - 371

EP - 378

JO - Chemical Engineering Science

JF - Chemical Engineering Science

ER -

Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts

Abstract

Bibliographical note

Keywords

Publisher link

Find It

Other files and links

Fingerprint

Cite this