New class of compounds have very low vapor pressures

Magnesium hexahydrate tetrachlorometallates are 50-volume-percent water, have a high melting point and possess a low vapor pressure. These new compounds are relatively noncorrosive, thermally stable, and water soluble but not hygroscopic. They may have potential applications as cooling fluids

Tunable Hydrogen Storage in Magnesium - Transition Metal Compounds

Magnesium dihydride (\mgh) stores 7.7 weight % hydrogen, but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM = Sc, Ti, V, Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and stability of Mg$_x$TM$_{1-x}$H$_2$ compounds, $x=[0$-1], by first-principles calculations at the level of density functional theory. We find that the experimentally observed sharp decrease in hydrogenation rates for $x\gtrsim0.8$ correlates with a phase transition of Mg$_x$TM$_{1-x}$H$_2$ from a fluorite to a rutile phase. The stability of these compounds decreases along the series Sc, Ti, V, Cr. Varying the transition metal (TM) and the composition $x$, the formation enthalpy of Mg$_x$TM$_{1-x}$H$_2$ can be tuned over the substantial range 0-2 eV/f.u. Assuming however that the alloy Mg$_x$TM$_{1-x}$ does not decompose upon dehydrogenation, the enthalpy associated with reversible hydrogenation of compounds with a high magnesium content ($x=0.75$) is close to that of pure Mg.Comment: 8 pages, 5 figure

Proton-Electron Hyperfine Coupling Constants of the Chlorophyll a Cation Radical by ENDOR Spectroscopy

In this paper we describe the assignment of the major coupling constants in monomer chlorophyll a cation free radical by ENDOR spectroscopy. To facilitate chemical manipulation methylpyrochlorophyllide a has been used as a stand-in, and a suite of six selectively deuterated derivatives have been subjected to ENDOR investigation. Details of the synthesis of these compounds are described. To study the effect of structural features on the spin distribution in the free radicals, six additional chlorophyll derivatives have been studied. Five coupling constants have been assigned, which account for about 80% of the observed electron spin resonance line width in the chlorophyll a monomer cation radical. The spin distribution appears to be highly asymmetric

Carbon doping of superconducting magnesium diboride

We present details of synthesis optimization and physical properties of nearly single phase carbon doped MgB2 with a nominal stoichiometry of Mg(B{0.8}C{0.2})2 synthesized from magnesium and boron carbide (B4C) as starting materials. The superconducting transition temperature is ~ 22 K (~ 17 K lower than in pure MgB2). The temperature dependence of the upper critical field is steeper than in pure MgB2 with Hc2(10K) ~ 9 T. Temperature dependent specific heat data taken in different applied magnetic fields suggest that the two-gap nature of superconductivity is still preserved for carbon doped MgB2 even with such a heavily suppressed transition temperature. In addition, the anisotropy ratio of the upper critical field for T/Tc ~ 2/3 is gamma ~ 2. This value is distinct from 1 (isotropic) and also distinct from 6 (the value found for pure MgB2).Comment: 11 pages, 13 figures, submitted to Physica

Magnesium-Containing Slurry as Technogenic Alternative Raw Material for Magnesium Oxychloride Cement

It has been shown experimentally that a waste of magnesium metal production is a realistic alternative to naturally occurring cement raw materials. The waste is the carnallite slurry forming during the chlorination stage. The slurry contains magnesium oxide (MgO) and magnesium chloride (MgCl2) in a mass ratio close to their optimal ratio when preparing Sorel cement. It is found that the magnesium oxide in the slurry is highly reactive. MgO extracted from the slurry and MgCl2 solution are mixed forming homogeneous magnesium oxychloride cement (MOC) paste in which bonding crystalline structures typical for Sorel cement are formed during hardening. © 2019 Published under licence by IOP Publishing Ltd

On the Balance of Intercalation and Conversion Reactions in Battery Cathodes

We present a thermodynamic analysis of the driving forces for intercalation and conversion reactions in battery cathodes across a range of possible working ion, transition metal, and anion chemistries. Using this body of results, we analyze the importance of polymorph selection as well as chemical composition on the ability of a host cathode to support intercalation reactions. We find that the accessibility of high energy charged polymorphs in oxides generally leads to larger intercalation voltages favoring intercalation reactions, whereas sulfides and selenides tend to favor conversion reactions. Furthermore, we observe that Cr-containing cathodes favor intercalation more strongly than those with other transition metals. Finally, we conclude that two-electron reduction of transition metals (as is possible with the intercalation of a $2+$ ion) will favor conversion reactions in the compositions we studied