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1.
J Phys Condens Matter ; 28(32): 324001, 2016 08 17.
Artículo en Inglés | MEDLINE | ID: mdl-27321823

RESUMEN

We revisit Morrison and Osterle (1965) who derived a phenomenological expression for the 'figure-of-merit' [Formula: see text] of the electrokinetic energy conversion (EKEC) of a pressure difference into electric energy (and vice versa) using charged nanotubes, nanopores or ion-exchange membranes. We show the equivalence with Morrison and Osterle of a novel expression of [Formula: see text] derived by Bentien et al (2013). We analyze two physical models for ionic and solvent flow which directly relate [Formula: see text] to nanopore characteristics such as pore size and wall charge density. For the uniform potential model, we derive an analytical expression as a function of pore size, viscosity, ion diffusion coefficients and membrane charge density, and compare results with the full space-charge model by Osterle and co-workers as a function of pore size and ion diffusion coefficient. We present a novel expression for [Formula: see text] for salt solutions with ions with unequal diffusion coefficients (mobilities) and show that to increase [Formula: see text] the counterion mobility must be low and the coion mobility high.

2.
Acta Crystallogr A ; 60(Pt 5): 382-9, 2004 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-15477675

RESUMEN

A new magnetic metal-organic framework material, [Mn(2)(C(8)OH(4)(4))(2)(C(3)H(7)NO)(2)], has been synthesized. The structure consists of chains of carboxylate-bridged Mn atoms interconnected with acid linkers, giving much larger interchain than intrachain Mn...Mn distances. Magnetic susceptibility data fitted to a Curie-Weiss law give Theta = -5.7 K and a total magnetic moment of 5.96 micro(B). The heat capacity provides no evidence of magnetic ordering down to 2 K. The X-ray charge density was determined from multipole modeling of 16 (1) K single-crystal synchrotron-radiation data. The structural surroundings of the two unique Mn centers are different, but orbital population analysis reveals close to single electron occupation in all 3d orbitals of both Mn sites, in agreement with the magnetic susceptibility measurements. Bader topological analysis shows the presence of direct chemical Mn...Mn interactions only in two out of three intrachain contacts, which suggests a 'broken' chain. The topological measures and approximate energy densities at the metal-ligand bond critical points (rho, nabla(2)rho, G, V and H) indicate ionic interactions. Formal electron counting suggests mixed-valence Mn sites, but this hypothesis is not supported by the Bader atomic charges [q(Mn) = +2.035 and +2.031].

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