Methantheline Bromide

Pyrolysis of methane using molten metal catalysts in bubble column reactors presents a cleaner and coking-free alternative for hydrogen production from natural gas due to its lack of direct CO2 emissions.Bubble column reactors overcome coking as the byproduct carbon material floats to the top due to its lower d. with respect to the molten metal and can be collected by phys. means.Typically, the catalysts used in these systems consist of a low-melting-point solvent metal such as Sn or Bi, along with a higher m.p. active component such as Ni.In this study, we present a first-principles investigation that explores the impact of a third component, a promoter, on the reactivity of a Bi-Ni molten alloy.Specifically, we examine Al and Cu as promoters and compare their effects.Unlike previous literature that mostly relies on static nudged elastic bands and free-energy-based calculations, we develop a comprehensive ab initio mol. dynamics-based protocol to provide a detailed account of the reaction mechanism.Our direct rate calculations reveal that, overall, including either promoter at 10 or 20% leads to a better performance than using an unpromoted Ni-Bi binary alloy.To overcome the intrinsic difficulties associated with rate calculations, we have performed a large number of ab initio mol. dynamics calculations and have analyzed the H dissociation times for each reaction step involved in the reaction mechanisms.Our findings reveal that overall Cu outperforms Al as a promoter under the simulation conditions employed.To better understand this outcome, we carefully examined each dissociation event and identified several intriguing trends, including the contrasting contributions of Al and Cu to reactivity.We have further rationalized our results with the help of simple descriptors such as binding energy and partial Bader charges in binary metal clusters and have found that the strength of the interaction of different metal species in the alloy with one another and the product fragments in the immediate neighborhood of the reaction as well as relative partial charges correlate very well with dissociation time data.The anal. methods developed in this study will be used in future research, enabling the screening of a broader range of promoters and facilitating the design of these promising energy production systems.

This study focuses on the effectiveness of titanium dioxide nanoparticles-doped Jatropha biodiesel on the performance, combustion, and exhaust emissions of a compression ignition engine at various fuel injection pressures and timings.Titanium dioxide nanoparticles are volumetrically doped into the unprocessed Jatropha biodiesel at concentrations of 10 ppm, 20 ppm, 30 ppm, and 40 ppm using ultrasonication process.Two fuel injection timings (17° and 23° bTDC) and three fuel injection pressures (500 bar, 1000 bar, and 1500 bar) are investigated in a common rail direct injection (CRDI) engine operating at full load conditions.The engine operations with Jatropha biodiesel exhibits slightly inferior combustion, lower performance, and higher exhaust emissions than the Diesel.However, the oxides of nitrogen emissions are observed to be very low with pure biodiesel operation.It is also seen that the Titanium dioxide nanoparticle doping on Jatropha biodiesel significantly improved the cylinder pressure, heat release rate, brake thermal efficiency (by 4.31%), brake specific energy consumption (by 4.13%), unburned hydrocarbon (by 23.47%), carbon monoxide (by 29.60%), particulate matter (by 28.48%) with slightly higher oxides of nitrogen emissions.The advancement in fuel injection timing and higher fuel injection pressure was also found to improve the combustion, exhaust emission, and performance parameters of the Titanium dioxide-doped Jatropha biodiesel, suggesting the competency of the TiO2 nanoparticle in enhancing the combustion of biodiesel in a CRDI engine.