SiO2/V2O5/TiO2 catalysts were synthesized for removing elemental mercury (Hg0) from simulated coal-combustion flue gas. Experiments were carried out in fixed-bed reactors using both pellet and powder catalysts. In contrast to the SiO2-TiO2 composites developed in previous studies, the V2O5 based catalysts do not need ultraviolet light activation and have higher Hg0 oxidation efficiencies. For H...

The atomic-scale interactions of H atoms with hydrogenated amorphous carbon a-C:H films were identified using molecular dynamics MD simulations and experiments based on surface characterization tools. Realistic a-C:H films developed using MD simulations were impinged with H atoms with a kinetic energy corresponding to a temperature of 700 K. The specific chemical reactions of the H atoms with t...

The sluggish oxygen reduction reaction (ORR) is a major impediment to the economic use of hydrogen fuel cells in transportation. In this work, we report the full ORR reaction mechanism for Pt(111) based on Quantum Mechanics (QM) based Reactive metadynamics (RμD) simulations including explicit water to obtain free energy reaction barriers at 298 K. The lowest energy pathway for 4 e- water format...

The objective of this research is to develop a kinetic model to describe the transesterification of soybean oil with methanol using NaOH-impregnated calcined oyster shell (Na-COS). Batch experiments were performed via a two-factor randomized complete block design using a molar ratio of methanol to oil (MR) of 6, 12, and 18 and catalyst loadings (CL) (mass of catalyst/mass of oil in %) of 2%, 4%...

The chemical looping reforming (CLR) process, which utilizes a transition metal oxide based redox catalyst to partially oxidize methane to syngas, represents a potentially efficient approach for methane valorization. The CLR process inherently avoids costly cryogenic air separation by replacing gaseous oxygen with regenerable ionic oxygen (O(2-)) from the catalyst lattice. Our recent studies sh...

A type of novel mineral-derived catalyst (MDC) composed vanadium–titanium magnetite and sintering ore was prepared via calcination or acid modification for selective catalytic reduction nitrogen oxides (NOx) with ammonia (NH3) to reduce the production cost simplify preparation process. Characterizations by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectromet...

We report herein a new sulfur-functionalized MXene Ti2C (Ti2CS2)-supported osmium-metal single-atom catalyst (SAC) Os1/Ti2CS2 with high low-temperature catalytic activity for CO oxidation. Using periodic density functional theory calculations, the most stable SAC, Os1/Ti2CS2, has been screened from series of group 8–11 transition metal SACs M1/Ti2CS2 (M = Fe, Co, Ni, Cu; Ru, Rh, Pd, Ag; Os, Ir,...

If you are a vet, you will often need to know the weight of an animal, for example to prescribe the right amount of a drug. If your animal is a rabbit, this is not a problem. But if your animal is large, say a donkey, and if you are out in the field, then you will not be able to weigh the animal directly. However, if you have a tape measure then you can weigh the animal indirectly, if you have ...

Mechanistic kinetic models were postulated for the catalytic steam reforming of concentrated crude ethanol on a Ni-based commercial catalyst at atmosphere pressure in the temperature range of 673-863 K, and at different catalyst weight to the crude ethanol molar flow rate ratio (in the range 0.9645-9.6451 kg catalyst h/kg mole crude ethanol) in a stainless steel packed bed tubular microreactor....

Abstract Understanding how the H2 molecule is formed under chemical conditions of interstellar media (ISM) critical to whole chemistry it. Formation in ISM requires a third body acting as reservoir energy. Polycyclic aromatic hydrocarbons (PAHs) are excellent candidates play that role. In this work we simulated collisions hydrogen atoms with coronene form via Eley-Rideal mechanism. To do so, us...