Guaiacol hydrodeoxygenation in the presence of Ni-containing catalysts

Alekseeva, M. S.; Булавченко, О. А.; Ermakov, D. Yu.; Лебедев, М. В.; Yakovlev, V. А.; Parmon, Valentin N.

doi:10.1134/s2070050411010028

Cited by 53 publications

(36 citation statements)

References 31 publications

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“…The intensities and positions of these reflections are somewhat different from the reference data and are associated with the formation of silicate-like structures. The formation of such species has been observed previously for related Ni-based catalysts prepared using a sol-gel technique [29,36,40]. Of interest is the shape of the NiO peaks, which are sharp at the top but considerably broadened at the base (Fig.…”

Section: X-ray Diffractionsupporting

confidence: 65%

“…Moreover, a higher amount of reduced Ni species is observed, which is associated with the presence of Cu [25]. The formation of Ni x Cu 1 − x solid solutions in the Ni-Cu catalyst is confirmed by a higher lattice parameter of the metallic Ni phase (Table 3) [29,36].…”

Section: X-ray Diffractionmentioning

confidence: 82%

“…Two reduction regions are present, one at 340-500°C and at 500-700°C. The lower temperature region is attributed to reduction of well-crystallized NiO species, whereas at higher temperatures, reduction of oxidized Ni species with strong interactions with the silica matrix takes place [29,36,37].…”

Section: Temperature Programmed Reductionmentioning

confidence: 99%

See 2 more Smart Citations

Mono-, bi-, and tri-metallic Ni-based catalysts for the catalytic hydrotreatment of pyrolysis liquids

Wang

Venderbosch

et al. 2017

Biomass Conv. Bioref.

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Catalytic hydrotreatment is a promising technology to convert pyrolysis liquids into intermediates with improved properties. Here, we report a catalyst screening study on the catalytic hydrotreatment of pyrolysis liquids using bi-and tri-metallic nickel-based catalysts in a batch autoclave (initial hydrogen pressure of 140 bar, 350°C, 4 h). The catalysts are characterized by a high nickel metal loading (41 to 57 wt%), promoted by Cu, Pd, Mo, and/or combination thereof, in a SiO 2 , SiO 2 -ZrO 2 , or SiO 2 -Al 2 O 3 matrix. The hydrotreatment results were compared with a benchmark Ru/C catalyst. The results revealed that the monometallic Ni catalyst is the least active and that particularly the use of Mo as the promoter is favored when considering activity and product properties. For Mo promotion, a product oil with improved properties viz. the highest H/C molar ratio and the lowest coking tendency was obtained. A drawback when using Mo as the promoter is the relatively high methane yield, which is close to that for Ru/C. 1 H, 13 C-NMR, heteronuclear single quantum coherence (HSQC), and two-dimensional gas chromatography (GC × GC) of the product oils reveal that representative component classes of the sugar fraction of pyrolysis liquids like carbonyl compounds (aldehydes and ketones and carbohydrates) are converted to a large extent. The pyrolytic lignin fraction is less reactive, though some degree of hydrocracking is observed.

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Section: X-ray Diffractionsupporting

confidence: 65%

Section: X-ray Diffractionmentioning

confidence: 82%

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Mono-, bi-, and tri-metallic Ni-based catalysts for the catalytic hydrotreatment of pyrolysis liquids

Wang

Venderbosch

et al. 2017

Biomass Conv. Bioref.

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“…Reported systems for hydrodeoxygenation of lignin-derived monomer include those with conventional CoMoS and NiMoS catalysts under severe conditions (typically ≥573 K) [17][18][19][20][21]. Metal phosphate catalysts [22,23], metal carbide catalysts [24], molybdenum-based catalysts [24][25][26][27][28], vanadium [29], iron [8,30], nickel [31][32][33][34][35], copper [36], cobalt [37], rhenium [38], and various noble metal catalysts (Pd [30,39,40], Pt [41][42][43][44][45][46][47], Ru [48][49][50][51] and Rh [52,53]) have been also tested by a number of groups at a similar high reaction temperature or high hydrogen pressure. Because of the order of bond dissociation energy of the three bonds ((1) > (2) > (3)) [17,30,32] and the better accessibility of the bond (3), many reported systems are considered to dissociate the O CH 3 bond of guaiacol at first to give catechol (demethylation) [22,...…”

Section: Introductionmentioning

confidence: 99%

Demethoxylation of guaiacol and methoxybenzenes over carbon-supported Ru–Mn catalyst

Ishikawa

Tamura

Nakagawa

et al. 2016

Applied Catalysis B: Environmental

121

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“…This makes it a suitable representative compound to study deoxygenation for the production of several platform chemicals. Thus, extensive study has been conducted towards guaiacol deoxygenation both experimentally and computationally ,. Some of them are detailed below.…”

Section: Introductionmentioning

confidence: 99%

Thermochemical Conversion of Guaiacol in Aqueous Phase by Density Functional Theory

2019

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The conversion of guaiacol to benzene, toluene and o‐cresol along with several important intermediates like phenol, catechol and others in aqueous phase has been theoretically studied under the framework of density functional theory (DFT). The bond dissociation energy (BDE) calculation has been performed on optimized structures of guaiacol, phenol and anisole; and accordingly several reaction pathways have been proposed. The thermochemical parameters like Gibb's free energy change and enthalpy change of the reactions have also been reported using M06‐2X functional. In BDE study of the three compounds, i. e., guaiacol, phenol and anisole, it is observed that the scission of H. at fifth carbon position of an aromatic ring is the highest energy demanding dissociation, whereas the cleavage of bond from the functional group attached to the aromatic ring has the least BDE. The formation of phenol from guaiacol is more likely to occur by simultaneous hydrogenation and demethoxylation of guaiacol amongst all proposed pathways in aqueous phase. Further, decomposition of phenol to benzene is likely to occur via direct dehydroxylation of phenol. The simultaneous hydrogenation and dehydroxylation of guaiacol in aqueous phase are most likely to produce anisole which can further be reduced to phenol by direct cleavage of methyl group followed by hydrogenation. Further, free energy change landscape shows the conversion of guaiacol to phenol to be kinetically most favourable conversion at low temperature and high pressure in the aqueous phase. Finally, the increase in temperature causes a decrease in Gibb's free energy change and enthalpy change of overall reactions, thereby increasing favourability of most of the reactions in aqueous phase. Furthermore, the comparison between gaseous and aqueous phase results have been made wherever applicable.

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Guaiacol hydrodeoxygenation in the presence of Ni-containing catalysts

Cited by 53 publications

References 31 publications

Mono-, bi-, and tri-metallic Ni-based catalysts for the catalytic hydrotreatment of pyrolysis liquids

Mono-, bi-, and tri-metallic Ni-based catalysts for the catalytic hydrotreatment of pyrolysis liquids

Demethoxylation of guaiacol and methoxybenzenes over carbon-supported Ru–Mn catalyst

Thermochemical Conversion of Guaiacol in Aqueous Phase by Density Functional Theory

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