We present the in silico design of a MOF-74 analogue, hereon known as M-2(DHFUMA) [M = Mg, Fe, Co, Ni, Zn], with enhanced small-molecule adsorption properties over the original M-2(DOBDC) series. Constructed from 2,3-dihydroxyfumarate (DHFUMA), an aliphati ...
The technologies for continuous measurement of the anaesthetic agents circulating in body fluids are not mature yet, though some preliminary prototypes exist already. We present a control algorithm that based on the real measurement of propofol plasma conc ...
We consider a narrow magneto-dipole transition in the Tm-169 atom at the wavelength of 1.14 mu m as a candidate for a two-dimensional-optical lattice clock. Calculating dynamic polarizabilities of the two clock levels [Xe]4f(13)6s(2)(J = 7/2) and [Xe]4f(13 ...
The hydrogen storage properties of a new family of isostructural metal organic frameworks are reported. The frameworks M-2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobpdc(4-) = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are analogous to the widely studied M-2(do ...
Liquid complex hydrides are a new class of hydrogen storage materials with several advantages over solid hydrides, e.g. they are flexible in shape, they are a flowing fluid and their convective properties facilitate heat transport. The physical and chemica ...
The overall aim of this work has been to develop sustainable solid thermally activated foam precursors suitable for the in-line production of lightweight bio-based foam core sandwich structures with consolidated wood particle facings, using a non-inflammab ...
Nuclear energy is among the most viable alternatives to our current fossil fuel-based energy economy. The mass deployment of nuclear energy as a low-emissions source requires the reprocessing of used nuclear fuel to recover fissile materials and mitigate r ...
Metal-organic frameworks (MOFs) are versatile nanoporous materials that have gained significant interest as low heat capacity, high selectivity sorbents for CO2 capture applications. Large-scale atomistic simulations for identifying high-performance MOFs a ...
In addition to the dedicated spin exchange optical pumping (SEOP) technique, an alternative method to produce hyperpolarized xenon gas using dynamic nuclear polarization (DNP) followed by a sublimation procedure was proposed. The challenge associated with ...
