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UiO-66, a kind of Metal-organic framework materials (MOFs) was used as a support for nano-palladium particles (i.e., Pd-UiO-66) which was used in the catalytic hydrogenation of phenol in aqueous media in this work. The performance of Pd-UiO-66 was compared with Pd-UiO-66-NH2, in which the UiO-66 support had been modified through the introduction of NH2 groups. Pd-UiO-66 and Pd-UiO-66-NH2 were characterized...
The efforts of supercritical water (SCW) on sulfur transformation during coal gasification process were studied in a batch autoclave. Sulfur morphological distribution of two different rank coals on solid, liquid and gas phase at different temperatures were thoroughly investigated during coal SCW gasification compared with coal pyrolysis. Compared with coal pyrolysis, the removal of sulfate-sulfur...
The reaction mechanism of coal pyrolysis and hydrogen production in supercritical water (SCW) was investigated using the molecular dynamic simulations via the reactive force field (ReaxFF) method combined with the density functional theory (DFT) method. Our calculations present that the water clusters in SCW weaken the C–C bonds in aromatic rings, thus the C(ring)–C(ring) bond cracking energy decreases...
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