Estimation of Hydrogen Donor Ability based on the Analyses of Chemical Structure for Hydrogenated SRC II Distillates.

Tanabe, K.; Satou, Masaaki; Hattori, Hideshi; Yokoyama, Susumu; Sanada, Yuzo

doi:10.3775/jie.75.159

Cited by 3 publications

(4 citation statements)

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“…The results of the proximate, ultimate and petrographical analyses of the Shenhua Shangwan coal are shown in Table 1, while the properties of the recycle solvent produced by the demonstration plant are summarized in Table 2. The proton donor quality index (PDQI), as developed by Tanabe [29], reflects the hydrogen-donating ability of the solvent and is expressed in units of milliequivalents of β-naphthenic hydrogen per gram. The PDQI value of 18.88 mg/g in Table 2 indicates superior hydrogen-donating ability.…”

Section: Coal and Recycle Solventmentioning

confidence: 99%

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The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

Xie

Shu

et al. 2018

Chinese Journal of Catalysis

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A series of both unsupported and coal-supported iron-oxygen compounds with gradual changes in microstructure were synthesized by a precipitation-oxidation process at 20 to 70 °C. The relationship between the microstructures and catalytic activities of these precursors during direct coal liquefaction was studied. The results show that the microstructure could be controlled through adjusting the synthesis temperature during the precipitation-oxidation procedure, and that compounds synthesized at lower temperatures exhibit higher catalytic activity. As a result of their higher proportions of γ-FeOOH or α-FeOOH crystalline phases, the unsupported iron-oxygen compounds synthesized at 20-30 °C, which also had high specific surface areas and moisture levels, generate oil yields 4.5%-4.6% higher than those obtained with precursors synthesized at 70 °C. It was also determined that higher oil yields were obtained when the catalytically-active phase formed by the precursors during liquefaction (pyrrhotite, Fe1−xS) had smaller crystallites. Feed coal added as a carrier was found to efficiently disperse the active precursors, which in turn significantly improved the catalytic activity during coal liquefaction.

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Section: Coal and Recycle Solventmentioning

confidence: 99%

“…The aromaticity (fa) value of the solvent (0.49) was calculated based on its 1 H nuclear magnetic resonance (NMR) spectrum and elemental composition. These two parameters were calculated using the equations below [4,29,30].…”

Section: Coal and Recycle Solventmentioning

confidence: 99%

The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

Xie

Shu

et al. 2018

Chinese Journal of Catalysis

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“…Coal swells in some solvents. Information on the structure of coal can be obtained from the extent of swelling and its temporal pattern in different solvents. − To improve coal reactivity and to eliminate several components that cause air pollution when the coal is burned, several solvent pretreatment methods are used. − In utilization of the coal, the interactions of coal and solvents play a crucial role. However, the coal−solvent interaction, such as the mechanism of solvent penetration during swelling and solvent extraction of coal, has not been completely understood.…”

Section: Introductionmentioning

confidence: 99%

Solid-State ¹⁵N NMR Studies of Coal Soaked in ¹⁵N Pyridine

Kawashima

2005

Energy Fuels

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The interactions of 15N-pyridine and Pasir subbituminous coal (C, 73.5 wt % (daf)) were investigated by solid-state 15N NMR of coal soaked in 15N-pyridine. Pyridine contained in the coal exists in two states. One state was characterized by somewhat limited mobility or by a weak hydrogen-bonded pyridine molecule. The other state was characterized by less mobility than in the weak hydrogen-bonded pyridine or by a strong hydrogen-bonded pyridine molecule, although the interactions are not strong enough to be detected by cross-polarization NMR.

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“…The interaction of coal with solvents is an important aspect of coal reactivity. Coal is pretreated with solvents to increase its reactivity in pyrolysis − and liquefaction, − for example. During coal liquefaction, weak chemical bonds in coal, such as Ar−CH 2 −CH 2 −Ar (where Ar is an aromatic cluster) and Ar−CH 2 −CO−Ar, are easily cleaved by heat treatment to produce free radicals.…”

Section: Introductionmentioning

confidence: 99%

Interactions of Organic Liquids with Coals: Analysis by Solid-State ¹³C Nuclear Magnetic Resonance

Kawashima

Saito

2004

Energy Fuels

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We analyzed the solid-state 13 C cross-polarization/magic-angle spinning (CP/MAS) nuclear magnetic resonance (NMR) spectra of three types of coal samples that had been immersed in toluene or n-hexane for 1 h. The coal samples were from the United States (Upper Freeport (UF) reserve, 86 wt % carbon, and Wyodak (WY) reserve, 75 wt % carbon), and Australia (Yallourn (YL) reserve, 65 wt % carbon). The spectra of toluene-and n-hexane-immersed UF and n-hexaneimmersed WY coals were identical to the spectra of the corresponding fresh coals: sorbed molecule peaks were not observed, which indicates that almost all the molecules in these coals were in a mobile state. The spectra of toluene-and n-hexane-immersed YL coal and toluene-immersed WY coal showed peaks for toluene and n-hexane, demonstrating that some of the molecules were bound relatively strongly to the coal. The C-1 carbon of toluene was not observed in the CP/MAS NMR spectra of toluene-immersed YL and WY coals, so it is possible that the toluene molecules observed in the NMR spectra were bound to these coals at the methyl or C-4 carbon through an OH(coal)-π(toluene) interaction. In the CP/MAS spectrum of n-hexane-immersed YL, the C-3 carbon of n-hexane was observed, but the C-1 and C-2 carbons were not. This result indicates that n-hexane molecules may bind to the coal only at C-3, whereas the C-1 and C-2 carbons remain more mobile. For YL coal immersed in toluene or n-hexane, or WY coal immersed in toluene, the observed peak intensities of toluene or n-hexane in the coals were smaller than expected, given the content. This result indicates that a proportion of the toluene or n-hexane molecules in the coal interacted relatively strongly with the coals via OH-π bonding and that the remaining molecules were in a mobile state and interacted weakly with the coals by π-π bonding or some other weak interaction.

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Estimation of Hydrogen Donor Ability based on the Analyses of Chemical Structure for Hydrogenated SRC II Distillates.

Cited by 3 publications

References 0 publications

The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

Solid-State ¹⁵N NMR Studies of Coal Soaked in ¹⁵N Pyridine

Interactions of Organic Liquids with Coals: Analysis by Solid-State ¹³C Nuclear Magnetic Resonance

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Estimation of Hydrogen Donor Ability based on the Analyses of Chemical Structure for Hydrogenated SRC II Distillates.

Cited by 3 publications

References 0 publications

The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

The relationship between the microstructures and catalytic behaviors of iron–oxygen precursors during direct coal liquefaction

Solid-State 15N NMR Studies of Coal Soaked in 15N Pyridine

Interactions of Organic Liquids with Coals: Analysis by Solid-State 13C Nuclear Magnetic Resonance

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Solid-State ¹⁵N NMR Studies of Coal Soaked in ¹⁵N Pyridine

Interactions of Organic Liquids with Coals: Analysis by Solid-State ¹³C Nuclear Magnetic Resonance