Energy‐Related Catalysis: Sections 3.1 – 3.7.5

Martino, G.; Courty, P.; Marcilly, C.; Kochloefl, Karl; Lunsford, Jack H.

doi:10.1002/9783527619474.ch14a

Cited by 9 publications

(8 citation statements)

References 489 publications

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“…The populations N a and N v can be derived from Henry's law and the ideal gas equation, respectively. Therefore, eq 1 becomes (2) where V and S are the pore volume and the pore surface area, respectively. K ads is the Henry adsorption constant (N a = K ads PS).…”

Section: Resultsmentioning

confidence: 99%

Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy

et al. 2015

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Crystalline mesoporous γ-, δ-, and θ-alumina samples with complex porosity and various surface areas (70 to 330 m 2 /g) were characterized by 129 Xe NMR spectroscopy and nitrogen adsorption. Experimental conditions have been optimized to measure 129 Xe NMR chemical shifts independent of the nature of the surface and solely dependent on the pore size. Xenon adsorption constants have been determined from xenon adsorption isotherms and from the fit of the chemical shift versus volume to surface ratio (V/S) curves with a simple exchange model. The discrepancy observed between those values has been attributed to the rugosity of the alumina pore surface. A direct correlation between the observed chemical shift and the alumina pore diameter was obtained for the whole series of alumina samples.

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Section: Resultsmentioning

confidence: 99%

Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy

et al. 2015

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“…Traditional industrial applications for hydrogen mainly include ammonia synthesis, Fischer–Tropsch (F–T) synthesis, and refinery processes. Recent advances in fuel cell technologies offer a low-carbon route for energy generation with high efficiency, and demand for both is expected to grow. , Among numerous approaches for producing hydrogen, catalytic reforming is classical and efficient, which can be traced back to the early 19th century . The term of catalytic reforming should not be confused with the process used for converting paraffinic hydrocarbons to high octane products in refining and petrochemical plants .…”

Section: Introductionmentioning

confidence: 99%

“…Recent advances in fuel cell technologies offer a low-carbon route for energy generation with high efficiency, and demand for both is expected to grow. , Among numerous approaches for producing hydrogen, catalytic reforming is classical and efficient, which can be traced back to the early 19th century . The term of catalytic reforming should not be confused with the process used for converting paraffinic hydrocarbons to high octane products in refining and petrochemical plants . In this Review, catalytic reforming refers to the reaction between water (gas-phase or aqueous-phase) and hydrocarbons or oxygenated hydrocarbons to yield a mixture of mainly hydrogen, carbon oxides, and methane .…”

Section: Introductionmentioning

confidence: 99%

Catalytic Reforming of Oxygenates: State of the Art and Future Prospects

2016

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This Review describes recent advances in the design, synthesis, reactivity, selectivity, structural, and electronic properties of the catalysts for reforming of a variety of oxygenates (e.g., from simple monoalcohols to higher polyols, then to sugars, phenols, and finally complicated mixtures like bio-oil). A comprehensive exploration of the structure-activity relationship in catalytic reforming of oxygenates is carried out, assisted by state-of-the-art characterization techniques and computational tools. Critical emphasis has been given on the mechanisms of these heterogeneous-catalyzed reactions and especially on the nature of the active catalytic sites and reaction pathways. Similarities and differences (reaction mechanisms, design and synthesis of catalysts, as well as catalytic systems) in the reforming process of these oxygenates will also be discussed. A critical overview is then provided regarding the challenges and opportunities for research in this area with a focus on the roles that systems of heterogeneous catalysis, reaction engineering, and materials science can play in the near future. This Review aims to present insights into the intrinsic mechanism involved in catalytic reforming and provides guidance to the development of novel catalysts and processes for the efficient utilization of oxygenates for energy and environmental purposes.

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“…The reduction of C1–MeO-substituted glucose 1 Me mainly generates the branched alkanes 2-methylpentane and 3-methylpentane, while the reduction of C1–Me 2 EtSiO- substituted glucose 1 Si mainly generates the straight-chain alkane n -hexane. The branched alkanes are usually used as transportation fuels because of higher motor octane numbers (MON). − However, the straight-chain alkanes could be used as nonpolar solvents and feedstock for biobenzene, bioethylene, and propylene production . Therefore, the efficient and selective production of branched or straight-chain alkanes is fundamentally important for practical utilization.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Ir-Catalyzed Chemoselective C1–O Reduction of Glucose with Silane

Zhang

2016

Organometallics

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Density functional theory (DFT) calculations have been performed to study the mechanism of Ir(III) pincer complex (POCOP)Ir(H)(acetone)+ (POCOP = 2,6-bis(dibutylphosphinito)phenyl) catalyzed chemoselective C1–O hydrosilylative reduction of glucose. The mechanisms for reduction of the external and internal C1–O (i.e., C1–Oext and C1–Oint) on the C1-MeO-substituted glucose (i.e., 1 Me ) and C1–Me2EtSiO-substituted glucose (i.e., 1 Si ) have been investigated. The calculation results show that both mechanisms proceed with the first concerted silyl transfer and the subsequent C1–Oext or C1–Oint bond cleavage and hydride transfer steps. In the hydride transfer step, the Ir-H moiety acts as the hydride source. The C1–O cleavage is the rate-determining step of the overall mechanism. The C1–Oext reduction is more favorable than C1–Oint reduction for the substrate 1 Me , while the C1–Oint reduction is more favorable for 1 Si . These results are consistent with the recent experimental outcomes. Analyzing the origin of chemoselectivity for the C1–Oext or C1–Oint cleavage, we found that the more stable precursor of C1–Oext cleavage and retention of the six-membered-ring structure result in the selective C1–Oext reduction of 1 Me . Meanwhile, the higher basicity of the alkyl ether Oint atom (in comparison to the silyl ether Oext atom) and greater steric hindrance in the precursor favor the C1–Oint bond weakening. Therefore, the C1–Oint reduction occurs selectively for 1 Si .

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Energy‐Related Catalysis: Sections 3.1 – 3.7.5

Cited by 9 publications

References 489 publications

Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy

Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy

Catalytic Reforming of Oxygenates: State of the Art and Future Prospects

Theoretical Study of Ir-Catalyzed Chemoselective C1–O Reduction of Glucose with Silane

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Energy‐Related Catalysis: Sections 3.1 – 3.7.5

Cited by 9 publications

References 489 publications

Exploring the Complex Porosity of Transition Aluminas by 129Xe NMR Spectroscopy

Exploring the Complex Porosity of Transition Aluminas by 129Xe NMR Spectroscopy

Catalytic Reforming of Oxygenates: State of the Art and Future Prospects

Theoretical Study of Ir-Catalyzed Chemoselective C1–O Reduction of Glucose with Silane

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Product

Resources

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Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy

Exploring the Complex Porosity of Transition Aluminas by ¹²⁹Xe NMR Spectroscopy