Direct Hydrodeoxygenation of m-Cresol to Toluene over Bifunctional NbOx–Pt

Chen, Tianqi; Vohs, John M.

doi:10.1021/acs.jpcc.0c03988

Cited by 13 publications

(8 citation statements)

References 42 publications

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“…Therefore, this bio-oil must be processed and deoxidized for further upgrading before being used as fuels. − Catalytic hydrodeoxygenation (HDO) is an effective approach for bio-oil upgrading. The physicochemical properties of upgraded bio-oil can be improved, such as the water content, total acid number, viscosity, and calorific value. , The types of catalysts and operating conditions result in various reactions occurred during the HDO process, such as direct deoxygenation via dehydroxylation, aromatic ring saturation through hydrogenation, and/or C–C bond cleavage by hydrogenolysis, which consume a large amount of H 2 and produce mixed products. , In recent years, researchers have extensively studied the selective HDO of biomass-based phenolic compounds to produce aromatic products (i.e., benzene, toluene, and xylene, BTX) under mild reaction conditions (low pressure and mild temperature). − BTX are important raw materials in the organic chemical industry, which can be widely used in fuel additives, solvent resins, and dyes. This transformation can not only obtain high value-added products but also greatly reduce the consumption of H 2 .…”

Section: Introductionmentioning

confidence: 99%

Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts

Nie

Chen

et al. 2021

J. Phys. Chem. C

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Density functional theory calculations were performed to study the adsorption and hydrodeoxygenation (HDO) of phenol, o-cresol, and guaiacol on Pt−Fe surfaces. The crucial impact of bimetallic Pt−Fe surface structures on the catalytic activity and selectivity was revealed. Key parameters in dictating the C Ar −O bond cleavage activity across different phenolic reactants were identified. The phenolic hydroxyl group interacted with surface metal atoms to modify the C Ar −O bond length and charges transferred from the catalyst surface to the related groups of phenolic reactants, thereby influencing the C Ar −O bond cleavage properties. The dehydroxylation reactions of o-cresol proceeded more easily on 1Pt sub −Fe(211), while the C Ar −O cleavage reaction of phenol was more likely to occur on 1Pt ads − Fe( 211). Based on the three possible paths of guaiacol conversion, phenol would be the major product on both the 1Pt ads −Fe(211) and 1Pt sub −Fe(211) surfaces, but its formation was from different pathways. Introduction of Pt in different forms leads to dissimilar structural and electronic effects on the adsorption as well as the HDO activity and selectivity.

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Section: Introductionmentioning

confidence: 99%

Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts

Nie

Chen

et al. 2021

J. Phys. Chem. C

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“…Pt plays a significant role in stabilizing oxygen vacancies. Chen et al [15b] . prepared a NbO x ‐Pt bifunctional catalyst for use in HDO of m ‐cresol.…”

Section: Design Methods and Effects Of Oxygen Vacancies In Hdomentioning

confidence: 99%

Vacancy Engineering in Transition Metal Sulfide and Oxide Catalysts for Hydrodeoxygenation of Lignin‐Derived Oxygenates

Jiang

Diao

et al. 2021

ChemSusChem

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The catalytic hydrodeoxygenation (HDO) of lignin has long been a hot research topic and vacancy engineering is a new means to develop more efficient catalysts for this process. Oxygen vacancies and sulfur vacancies are both widely used in HDO. Based on the current research status of vacancies in the field of lignin‐derived oxygenates, this Minireview discusses in detail design methods for vacancy engineering, including surface activation, synergistic modification, and morphology control. Moreover, it is clarified that in the HDO reaction, vacancies can act as acidic sites, promote substrate adsorption, and regulate product distribution, whereas for the catalysts, vacancies can enhance stability and reducibility, improve metal dispersion, and improve redox capacity. Finally, the characterization of vacancies is summarized and strategies are proposed to address the current deficiencies in this field.

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“…The authors emphasized that this type of adsorption is different from that commonly reported for Pt catalysts, in which there is the adsorption of the aromatic ring with the metal surface, facilitating hydrogenation of the ring to produce saturated hydrocarbons. In this regard, it was concluded that the greater selectivity to toluene for the catalyst NbOx -Pt/C is justified mainly by the adsorption mechanism favored by this material, which induces C-O bond cleavage and hinders aromatic ring hydrogenation (T. Chen & Vohs, 2020). Ru catalysts supported on various materials containing niobium, such as phosphate and niobia, were also synthesized and tested for the production of cyclohexane from hydrodeoxygenation of anisole, in a dense and complete work developed by Zhao et al (2020).…”

Section: Figure 5 -Mechanisms Of Hdo Reactions Of Substituted Phenolic Compounds On Pd Catalystsmentioning

confidence: 99%

“…Furthermore, stability tests were also performed showing the good recyclability and stability of the catalyst. Hence the presented one-pot process over Pt/NbOPO4 catalyst seems to be a potential alternative for biofuels production from raw biomass (T. Chen & Vohs, 2020).…”

Section: Thermochemical Processes For the Production Of Bio-oil And Biocrudementioning

confidence: 99%

Uso de compostos de nióbio como catalisadores na produção de biocombustíveis: uma revisão

Moreira¹,

Souza²,

Silva³

et al. 2022

J. Eng. Exact Sci.

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A necessidade de substituir combustíveis fósseis por biocombustíveis não é um tema recente na comunidade acadêmica. Pesquisadores estudam e desenvolvem combustíveis alternativos há décadas e, com isso, combustíveis como o biodiesel e o etanol de primeira geração se consolidaram no mercado. No entanto, esses biocombustíveis de primeira geração competem com a indústria de alimentos, o que afeta sua oferta e preço. Por outro lado, os combustíveis de segunda geração são produzidos a partir de biomassa lignocelulósica e resíduos orgânicos de atividades urbanas e agroindustriais, não competindo com a indústria de alimentos. No entanto, a maioria desses processos ainda não é economicamente viável. Duas das principais contribuições para essa inviabilidade são o baixo desempenho dos processos (baixa conversão da matéria-prima e baixa seletividade dos produtos de interesse) e o alto custo dos catalisadores, que muitas vezes são feitos de metais nobres de pouca disponibilidade. O Nióbio é um metal com diversas aplicações, mas ainda pouco explorado industrialmente como catalisador, apesar de possuir propriedades interessantes para essa finalidade. Este artigo de revisão compila trabalhos envolvendo o uso do nióbio e seus compostos como catalisador em diversos processos de produção de biocombustíveis, como esterificação, pirólise, liquefação, síntese Fischer-Tropsch, desoxigenação, entre outros. Além da revisão da literatura, este artigo apresenta uma análise crítica a respeito das aplicações de cada processo e tecnologia, bem como das pesquisas desenvolvidas pelos autores.

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Direct Hydrodeoxygenation of m-Cresol to Toluene over Bifunctional NbO_x–Pt

Cited by 13 publications

References 42 publications

Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts

Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts

Vacancy Engineering in Transition Metal Sulfide and Oxide Catalysts for Hydrodeoxygenation of Lignin‐Derived Oxygenates

Uso de compostos de nióbio como catalisadores na produção de biocombustíveis: uma revisão

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