Ethylbenzene dehydrogenation to styrene with CO 2 over V 2 O 5 (001): A periodic density functional theory study

Fan, Hongxia; Feng, Jie; Guo, Yun-Peng; Nimmo, W.; Xie, Kui

doi:10.1016/j.ces.2015.01.068

Cited by 23 publications

(11 citation statements)

References 31 publications

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“…13 ). The computed activation energies of α and β hydrogen abstraction (0.70 and 0.37 eV) are much lower than those reported over other catalyst surfaces, such as V 2 O 5 (001) (1.96 and 2.23 eV) 52 , CeO 2 (111) (1.70 and 0.84 eV) 53 , and zirconium vanadate (2.48 and 1.23 eV) 54 , showing the advantages of our proposed catalyst. Following the α and β hydrogen abstraction, the formed styrene readily desorbs from the catalyst surface with highly favorable energetics.…”

Section: Resultscontrasting

confidence: 65%

A tailored multi-functional catalyst for ultra-efficient styrene production under a cyclic redox scheme

et al. 2021

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Styrene is an important commodity chemical that is highly energy and CO2 intensive to produce. We report a redox oxidative dehydrogenation (redox-ODH) strategy to efficiently produce styrene. Facilitated by a multifunctional (Ca/Mn)1−xO@KFeO2 core-shell redox catalyst which acts as (i) a heterogeneous catalyst, (ii) an oxygen separation agent, and (iii) a selective hydrogen combustion material, redox-ODH auto-thermally converts ethylbenzene to styrene with up to 97% single-pass conversion and >94% selectivity. This represents a 72% yield increase compared to commercial dehydrogenation on a relative basis, leading to 82% energy savings and 79% CO2 emission reduction. The redox catalyst is composed of a catalytically active KFeO2 shell and a (Ca/Mn)1−xO core for reversible lattice oxygen storage and donation. The lattice oxygen donation from (Ca/Mn)1−xO sacrificially stabilizes Fe3+ in the shell to maintain high catalytic activity and coke resistance. From a practical standpoint, the redox catalyst exhibits excellent long-term performance under industrially compatible conditions.

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Section: Resultscontrasting

confidence: 65%

A tailored multi-functional catalyst for ultra-efficient styrene production under a cyclic redox scheme

et al. 2021

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“…Vanadium-embed catalysts also used in CO 2 based oxidative dehydrogenation of oxidative dehydrogenation of ethyl benzene (ODHEB) reactions [21,45]. CO 2 , being a mild oxidant, cannot reproduce the active sites on the V 2 O 5 (001) surface of the catalyst quickly enough due to the large activation energy (3.16 eV) [46]. A ceria-supported vanadium catalyst floated on a titania-zirconia combined oxide (TiO 2 -ZrO 2 ) has moderate constancy which was reported by Reddy et al [47].…”

Section: Influence Of Co 2 On Dehydrogenation Of Ethyl Benzenementioning

confidence: 99%

The Role of CO2 as a Mild Oxidant in Oxidation and Dehydrogenation over Catalysts: A Review

et al. 2020

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Carbon dioxide (CO2) is widely used as an enhancer for industrial applications, enabling the economical and energy-efficient synthesis of a wide variety of chemicals and reducing the CO2 levels in the environment. CO2 has been used as an enhancer in a catalytic system which has revived the exploitation of energy-extensive reactions and carry chemical products. CO2 oxidative dehydrogenation is a greener alternative to the classical dehydrogenation method. The availability, cost, safety, and soft oxidizing properties of CO2, with the assistance of appropriate catalysts at an industrial scale, can lead to breakthroughs in the pharmaceutical, polymer, and fuel industries. Thus, in this review, we focus on several applications of CO2 in oxidation and oxidative dehydrogenation systems. These processes and catalytic technologies can reduce the cost of utilizing CO2 in chemical and fuel production, which may lead to commercial applications in the imminent future.

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“…Additionally, industrial use of CO 2 is increasingly important in many aspects especially the greenness of the process where CO 2 is consumed during the process [6]. As a consequence, ODH of ethylbenzene with CO 2 as a soft oxidant has attracted a considerable attention [5,13,17,19,[21][22][23][24]. ODH of EB (3) in the presence of CO 2 proceeds via two reactions [1,2]: first EB is dehydrogenated to ST and H 2 (Eq.…”

Section: Introductionmentioning

confidence: 99%

Comparison of single-bed oxidative dehydrogenation of ethylbenzene with double-bed using CO2

2019

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The present study highlights the catalytic performance of 5 wt% Fe 2 O 3 supported on sodium chromosilicate (5F/NCS) in a single-bed reactor for dehydrogenation of ethylbenzene with CO 2 and compares it with the catalytic performance of two subsequent catalysts (5F/NCS + industrial oxidation catalyst) in a double-bed reactor. The support of the target nanocomposite catalyst was obtained by hydrothermal treatment and subsequently was loaded with a medium amount of 5 wt% γ-Fe 2 O 3. Structural and textural characterizations of the catalysts were performed by means of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, N 2 physical adsorption analysis, and Fourier-transform infrared spectroscopy. The catalytic tests revealed that 5F/NCS in the single-bed reactor had a high ethylbenzene conversion (> 54%) and a low styrene selectivity (> 70%). In comparison with this observation, in the double-bed reactor with the presence of oxidation catalysts, styrene selectivity increased significantly (> 91%), however; ethylbenzene conversion indicated a minor decrease (> 50%). The high styrene selectivity (> 91%) and styrene yield (> 46%) in the double-bed reactor were ascribed to the coupling reaction of ethylbenzene dehydrogenation and RWGS as well as the synergistic effect of Pt-Sn in the structure of oxidation catalyst.

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Ethylbenzene dehydrogenation to styrene with CO 2 over V 2 O 5 (001): A periodic density functional theory study

Cited by 23 publications

References 31 publications

A tailored multi-functional catalyst for ultra-efficient styrene production under a cyclic redox scheme

A tailored multi-functional catalyst for ultra-efficient styrene production under a cyclic redox scheme

The Role of CO2 as a Mild Oxidant in Oxidation and Dehydrogenation over Catalysts: A Review

Comparison of single-bed oxidative dehydrogenation of ethylbenzene with double-bed using CO2

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