Syngas to isoparaffins: Rationalizing selectivity over zeolites assisted by a predictive isomerization model

Xing, Chuang; Li, Mingquan; Noreen, Aqsa; Fu, Yajie; Yao, Miaohong; Lu, Chao; Gao, Xinhua; Yang, Renqiang; Amoo, Cederick Cyril

doi:10.1016/j.fuel.2020.119233

Cited by 16 publications

(11 citation statements)

References 40 publications

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“…The acidity also measured by NH 3 -TPD and Py-IR suggests that ZSM-5 possesses a higher concentration of acid sites when compared with SAPO-11. These factors collectively enhance the activity of ZSM-5 in n -decane conversion over the SAPO-11 zeolite. , …”

Section: Resultsmentioning

confidence: 99%

“…These factors collectively enhance the activity of ZSM-5 in n-decane conversion over the SAPO-11 zeolite. 42,43 Cracking and isomerization of hydrocarbons are reactions that are prevalent on solid acid catalysts. 44 As a consequence, the isomerization activity follows a similar trend as ZSM-5 zeolite demonstrates a higher isoparaffin selectivity over SAPO-11.…”

Section: Introductionmentioning

confidence: 99%

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One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

Noreen

et al. 2020

ACS Catal.

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Direct hydrogenation of CO2 to high-valued fuels is a process that can be likened to the “Trapping two fishes with a single worm”. This win–win situation addresses the ever-increasing problems associated with excessive CO2 emission as well as renewable energy supply. In this contribution, a thorough study is realized on 10 MR zeolites with one-dimensional (1D) and three-dimensional (3D) structures for the direct hydrogenation of CO2 to gasoline (C5–C11), with a high fraction of multibranched isoparaffins. Emphasis is placed on identifying the factors that favor isomerization and increase the number of branches on the isomers. Zeolites SAPO-11 and ZSM-5 were configured with Na/Fe3O4 (NaFe) in single-, dual-, and various triple-bed arrangements for this investigation. A dual-bed reaction with SAPO-11 and ZSM-5 coupled individually with the NaFe catalyst showed relatively higher selectivity for low-branched isoparaffins and aromatics, respectively. In the event of combining both the zeolites with NaFe as a physical mix and triple-bed systems, isoparaffins selectivity increased with improved multibranched isomers and reduced aromatics at the same time. Among these different tactics, the triple-bed system comprising the NaFe catalyst followed sequentially with SAPO-11 and ZSM-5 maximizes the selectivity for isoparaffins with the enhanced formation of multibranched isomers. The selectivity of gasoline reached 71.7% in hydrocarbons (HCs) with a maximum of 38.2% isoparaffins possessing a RON value of 91.7 at CO2 conversion of 31.2%. Multibranched isomers accounted for 28.3% in all C5+ isoparaffins, much higher than that of the single zeolite. Purposefully, hypothetical knowledge obtained from the prior model reactions on the zeolites served as a strong foundation to support and give insight into the results from the CO2 hydrogenation reactions.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

Noreen

et al. 2020

ACS Catal.

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“…Xing et al investigated the direct syngas conversion to gasoline over Beta, ZSM-5, and SAPO-11 zeolites employing Co/SiO 2 as the main FTS catalyst. 80 Their investigation revealed that the large 12 MR pores of Beta supported diffusion of olefin intermediates that enhanced oligomerization activity leading to the highest selectivity for gasoline. The 3D structures associated with Beta zeolite further enhanced the isomerization activity that led to the highest isoparaffin selectivity of 41.7%.…”

Section: Steam Reforming Of Methane (Srm)mentioning

confidence: 99%

Tandem Reactions over Zeolite-Based Catalysts in Syngas Conversion

et al. 2022

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Syngas conversion can play a vital role in providing energy and chemical supplies while meeting environmental requirements as the world gradually shifts toward a net-zero. While prospects of this process cannot be doubted, there is a lingering challenge in distinct product selectivity over the bulk transitional metal catalysts. To advance research in this respect, composite catalysts comprising traditional metal catalysts and zeolites have been deployed to distinct product selectivity while suppressing side reactions. Zeolites are common but highly efficient materials used in the chemical industry for hydroprocessing. Combining the advantages of zeolites and some transition metal catalysts has promoted the catalytic production of various hydrocarbons (e.g., light olefins, aromatics, and liquid fuels) and oxygenates (e.g., methanol, dimethyl ether, formic acid, and higher alcohols) from syngas. In this outlook, a thorough revelation on recent progress in syngas conversion to various products over metal-zeolite composite catalysts is validated. The strategies adopted to couple the metal species and zeolite material into a composite as well as the consequential morphologies for specific product selectivity are highlighted. The key zeolite descriptors that influence catalytic performance, such as framework topologies, proximity and confinement effects, acidities and cations, pore systems, and particle sizes are discussed to provide a deep understanding of the significance of zeolites in syngas conversion. Finally, an outlook regarding challenges and opportunities for syngas conversion using zeolite-based catalysts to meet emerging energy and environmental demands is also presented.

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“…Monomethyl branched alkanes have been reported as the predominant branching products, and different branched isomers can coexist with the branching methyl group distributed along the alkyl chains. 1 , 7 , 20 , 21 Recent studies using bifunctional catalysts 22 , 23 have reported product compositions containing as much as >60 mol % branched alkanes. Being able to control the amount and nature of branched alkanes enables control over the properties and quality of fuels.…”

Section: Introductionmentioning

confidence: 99%

In Situ Characterization of Mixtures of Linear and Branched Hydrocarbons Confined within Porous Media Using 2D DQF-COSY NMR Spectroscopy

et al. 2022

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The analysis of 1D anti-diagonal spectra from the projections of 2D double-quantum filtered correlation spectroscopy NMR spectra is presented for the determination of the compositions of liquid mixtures of linear and branched alkanes confined within porous media. These projected spectra do not include the effects of line broadening and therefore retain high-resolution information even in the presence of inhomogeneous magnetic fields as are commonly found in porous media. A partial least-square regression analysis is used to characterize the mixture compositions. Two case studies are considered. First, mixtures of 2-methyl alkanes and n -alkanes are investigated. It is shown that estimation of the mol % of branched species present was achieved with a root-mean-square error of prediction (RMSEP) of 1.4 mol %. Second, the quantification of multicomponent mixtures consisting of linear alkanes and 2-, 3-, and 4-monomethyl alkanes was considered. Discrimination of 2-methyl and linear alkanes from other branched isomers in the mixture was achieved, although discrimination between 3- and 4- monomethyl alkanes was not possible. Compositions of the linear alkane, 2-methyl alkane, and the total composition of 3- and 4-methyl alkanes were estimated with a RMSEP <3 mol %. The approach was then used to estimate the composition of the mixtures in terms of submolecular groups of CH 3 CH 2 , (CH 3 ) 2 CH, and CH 2 CH(CH 3 )CH 2 present in the mixtures; a RMSEP <1 mol % was achieved for all groups. The ability to characterize the mixture compositions in terms of molecular subgroups allows the application of the method to characterize mixtures containing multimethyl alkanes. The motivation for this work is to develop a method for determining the mixture composition inside the catalyst pores during Fischer–Tropsch synthesis. However, the method reported is generic and can be applied to any system in which there is a need to characterize mixture compositions of linear and branched alkanes.

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Syngas to isoparaffins: Rationalizing selectivity over zeolites assisted by a predictive isomerization model

Cited by 16 publications

References 40 publications

One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

Tandem Reactions over Zeolite-Based Catalysts in Syngas Conversion

In Situ Characterization of Mixtures of Linear and Branched Hydrocarbons Confined within Porous Media Using 2D DQF-COSY NMR Spectroscopy

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Syngas to isoparaffins: Rationalizing selectivity over zeolites assisted by a predictive isomerization model

Cited by 16 publications

References 40 publications

One-Pass Hydrogenation of CO2 to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

One-Pass Hydrogenation of CO2 to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

Tandem Reactions over Zeolite-Based Catalysts in Syngas Conversion

In Situ Characterization of Mixtures of Linear and Branched Hydrocarbons Confined within Porous Media Using 2D DQF-COSY NMR Spectroscopy

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One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts

One-Pass Hydrogenation of CO₂ to Multibranched Isoparaffins over Bifunctional Zeolite-Based Catalysts