Production of deoxygenated high carbon number hydrocarbons from furan condensates: Hydrodeoxygenation of biomass-based oxygenates

Seo, Jin Young; Kwon, Ji Sun; Choo, Hyunah; Choi, Ji‐Won; Jae, Jungho; Suh, Dong Jin; Kim, Shin; Ha, Jeong‐Myeong

doi:10.1016/j.cej.2018.09.146

Cited by 22 publications

(3 citation statements)

References 34 publications

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“…On Ni, C–O scission barriers are 1 eV lower than open-ring oxygen hydrogenation barriers on Ni surfaces, leading to low alcohol selectivity on Ni. Deoxygenates have indeed been observed as the dominant product for furfural HDO on Ni surfaces. , Ni has also shown excellent deoxygenation activity for furan-condensed C 15 oxygenates . Deoxygenate formation was favored on Ni and its SAA Ni–X (X = Pt, Co, and Fe) surfaces with a similar TOF of 10 –4 s –1 .…”

Section: Resultsmentioning

confidence: 90%

“…Experimental studies on furan HDO are scarce, but furfural HDO on Pd 43 and Pt 44,45 43,48 Ni has also shown excellent deoxygenation activity for furancondensed C 15 oxygenates. 49 Deoxygenate formation was favored on Ni and its SAA Ni−X (X = Pt, Co, and Fe) surfaces with a similar TOF of 10 −4 s −1 . Ni alloys 10,45,48,50 have also been proposed as potential HDO catalysts with NiFe 50 reported to be a universal catalyst for the HDO of bio-oil model compounds�benzene alcohol, ethyl oenanthate, and furfuryl alcohol to yield toluene, heptane, and 2-MF with >90% yield.…”

Section: Mkm Of Furan Hdomentioning

confidence: 96%

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Microkinetic Modeling of Furan Hydrodeoxygenation over Transition-Metal Surfaces

Kanchan,

Banerjee

2024

J. Phys. Chem. C

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Hydrodeoxygenation (HDO) of biomass-derived oxygenates present in bio-oil is a critical step in their conversion to high-value chemicals and fuels. Furanics represent a significant fraction of the bio-oil and are considered as potential platform chemicals to yield a variety of valuable chemicals. In this study, density functional theory calculations and a descriptor-based microkinetic modeling (MKM) approach were utilized to investigate furan HDO on transition-metal surfaces and predict activity and selectivity for the formation of ring-hydrogenated product like dihydrofuran (DHF), open-chain alcohols, aldehydes, and deoxygenated molecules as a function of carbon (E C ) and oxygen-binding energies (E O ). Deoxygenated products were favored at high temperatures and low pressures on surfaces with weak E C and strong E O , while alcohols were favored on surfaces with weak E O and low temperatures. DHF and aldehyde formation were favored at high H 2 pressures and low temperatures on surfaces having very weak oxygen-binding energies and very high carbon/oxygen-binding energies, respectively. Ni had high activity and selectivity toward deoxygenated products in agreement with experimental observations, while Pd and Pt show the highest activity and selectivity toward ring-hydrogenated products. Our MKM analysis was extended to screen single-atom alloy surfaces for HDO activity, and NiFe was found to be a potential deoxygenating catalyst in agreement with previous experimental studies.

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Section: Resultsmentioning

confidence: 90%

Section: Mkm Of Furan Hdomentioning

confidence: 96%

Microkinetic Modeling of Furan Hydrodeoxygenation over Transition-Metal Surfaces

Kanchan,

Banerjee

2024

J. Phys. Chem. C

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“…The yield of the generated furans was reported as the function of temperature in most of the studies. Hemicellulose Ru-Re/biochar Hydrolysis 1 1,4-BD and THF [22] Bio-derived furans HZSM-5 Diels-Alder cycloaddition reaction 2 MF [23] Fructose Nb2O5 fructose dehydration 5-HMF [24] Xylose supported Ni Hydrodeoxygenation 3 2-MF and FF [25] Cellulose NaY Pyrolysis Furan, 2-MF, 3-MF, DMF [26] Olive mill solid waste -Anaerobic digestion HMF and FF [27] Fructose, inulin and MCC Pd, Pt, Ir, Ni, Ru Hydrolysis 2,5-DHMF [28] Monosaccharides and cellulose H 3 PO 4 and NaOH Hydrolysis-dehydration 4 HMF, FF [29] Fructose Ionic liquid-Ru/C Dehydration DMF and DMTF [30] Seaweed biomass Solid acid KHSO4 Autoclave treatment HMF [31] Glucose Ga and Sn zeolite Y catalyst Dehydration HMF [32] Carbohydrates and molasses ZnCl2/HCl and AlCl3/HCl Dehydration HMF [33] Sugarcane Bagasse -Hot Compressed Water HMF [34] cellulose, glucose, and fructose functionalized zeolites Dehydration HMF [35] Cellulose CrCl2/Zeolite/[Bmim]Cl…”

Section: Fig 1 World Energy Profile Consumption In 2018mentioning

confidence: 99%

Direct catalytic conversion of bagasse fibers to furan building blocks in organic and ionic solvents

Abdulkhani

Siahrang

Zadeh

et al. 2021

Biomass Conv. Bioref.

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The applications of lignocellulosic wastes to produce a wide variety of products, including biochemicals, biomaterials, and biofuels, can be an effective solution for utilizing these valuable waste materials. In this study, the production of furan building blocks from bagasse fibers was investigated by treating unbleached fibers with NMMO, [Bmim]Cl, and TMAH at different temperatures using AlCl3 and CrCl2 as the catalysts. The resulted liquors were extracted with CH2Cl2 to obtain furan rich fraction. Analysis of extracted fractions with GC/MS indicates the production of various furanic compounds due to catalytic solvolysis with different solvents at elevated temperatures. 2(3H)-furanone and 2-methyl-THF were the main products of catalytic treatment of bagasse fibers with NMMO. Treatment by [Bmim]Cl resulted in 2,5dihydro furanone as the dominant product at elevated temperatures. Furan carboxylic acid methyl ester and 2, 5-furan dicarboxylic acid dimethyl ester were the main TMAH reaction products with unbleached fibers. The results indicate that the type of solvent affects the solvolysis rate and dehydration of cellulose to furanic compounds. Moreover, increasing the temperature led to an increase in the formation of the furanic compounds.

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Catalytic Materials for Green Diesel Production

Upadhyay

Das

2022

Advances in Sustainability Science and Technology

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Production of deoxygenated high carbon number hydrocarbons from furan condensates: Hydrodeoxygenation of biomass-based oxygenates

Cited by 22 publications

References 34 publications

Microkinetic Modeling of Furan Hydrodeoxygenation over Transition-Metal Surfaces

Microkinetic Modeling of Furan Hydrodeoxygenation over Transition-Metal Surfaces

Direct catalytic conversion of bagasse fibers to furan building blocks in organic and ionic solvents

Catalytic Materials for Green Diesel Production

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