Using density functional theory we examine the crystal structure and the finite-temperature thermodynamics of formation and dehydrogenation for the quaternary hydride Li4BN3H10. Two recent studies based on x-ray and neutron diffraction have reported three bcc crystal structures for this phase. While these structures possess identical space groups and similar lattice constants, internal coordina...

This Perspective covers sustainable oxidation processes using doped cerias, ceria-supported catalysts and ceria-based mixed oxides. Firstly, we consider the general properties of ceria-based catalysts. We outline the advantages of the ceria redox cycle, and explain the dynamic behaviour of these catalysts in the presence of metal additives and dopants. We then review three types of catalytic ox...

Liquid organic hydrogen carriers (LOHC) are compounds that enable chemical energy storage through reversible hydrogenation. They are considered a promising technology to decouple energy production and consumption by combining high-energy densities with easy handling. A prominent LOHC is N-ethylcarbazole (NEC), which is reversibly hydrogenated to dodecahydro-N-ethylcarbazole (H12-NEC). We studie...

Propylene is an important raw material and extensively used in the petrochemical industry. There has been a continuously growing demand for propylene in recent years around the world1–3. The majority of propylene is produced as a byproduct from processes such as steam cracking of naphtha and fluid catalytic cracking (FCC)4,5. Additional sources of propylene included dehydrogenation of propane, ...

The latest Micromesh Gas Amplification Structures (Micromegas) are achieving outstanding energy resolution for low energy photons, with values as low as 11% FWHM for the 5.9 keV line of Fe in argon/isobutane mixtures at atmospheric pressure. At higher energies (MeV scale), these measurements are more complicated due to the difficulty in confining the events in the chamber, although there is no ...

Hydrocarbons are the main components in natural gases. Although the molecular distribution has been often used to study the origin of hydrocarbon, the occurrence of pentane and hexane isomers has not been discussed for natural gases. This study first reports controlling factors of pentane and hexane isomer ratios of natural gases from Akita, Niigata and Hokkaido in Japan. For the samples from A...

Highly crumpled graphene nanosheets (GNS) with a BET surface area as high as 1159 m(2) g(-1) was fabricated by a thermal exfoliation method. A systematic investigation was performed on the hydrogen sorption properties of MgH(2)-5 wt% GNS nanocomposites acquired by ball-milling. It was found that the as-synthesized GNS exhibited a superior catalytic effect on hydrogenation/dehydrogenation of MgH...

The reactivity of ruthenacyclic compounds towards ammonia-borane's dehydrogenation was investigated by considering both hydrolytic and anhydrous conditions. The study shows that the highly soluble μ-chlorido dicarbonylruthenium(II) dimeric complex derived from 4-tert-butyl,2-(p-tolyl)pyridine promotes, with an activation energy E(a) of 22.8 kcal mol(-1), the complete hydrolytic dehydrogenation ...

Calcium borohydride hydrazinates, Ca(BH4)2-nN2H4 (n 1⁄4 4/3, 1, 2, 3) have been synthesized successfully. In particular, Ca(BH4)2 2N2H4 crystallizes in a monoclinic space group of C2/m with the lattice parameters of a 1⁄4 10.1385 Å, b 1⁄4 8.6342 Å, c 1⁄4 4.6384 Å, b 1⁄4 106.467 . It can release 5.9 equiv. gas/Ca(BH4)2 (approximately 8.8 wt. % H2) at 240 C. Ca(BH4)2-N2H4 and Ca(BH4)2-4/3N2H4, on...

DEB dehydrogenation reaction was conducted to produce divinylbenzene (DVB) and ethylvinylbenzene (EVB). The effects of temperature, catalyst weight and time factor on the performance of the dehydrogenation reactor were investigated experimentally. Temperature was varied from 550º C up to 600 º C. Temperature affect the conversion of DEB to DVB significantly. The mole fraction of DEB in the outl...