Measurements of parameters expressed in terms of carbonic species such as Alkalinity and Acidity of saline waters do not analyze the influence of external parameters to the titration such as Total free and associated Carbonic Species Concentration, activity coefficient, ion pairing formation and Residual Liquid Junction Potential in pH measurements. This paper shows the development of F5BC titr...

Measurements of parameters expressed in terms of carbonic species such as Alkalinity and Acidity of saline waters do not analyze the influence of external parameters to the titration such as Total free and associated Carbonic Species Concentration, activity coefficient, ion pairing formation and Residual Liquid Junction Potential in pH measurements. This paper shows the development of F5BC titr...

Nanomaterials as anode for lithium-ion batteries (LIB) have gained widespread interest in the research community. However, scaling up and processibility are bottlenecks to further commercialization of these materials. Here, we report that bulk antimony sulfide with a size of 10-20 μm exhibits a high capacity and stable cycling of 800 mAh g(-1). Mechanical and chemical stabilities of the electro...

We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within ...

Conditional stability constants have been determined for U(IV) and U(VI) Boom Clay humic acid (BCHA) and Aldrich humic acid (AHA) complexes, under anaerobic and carbonate free conditions. The constants are needed for nuclear waste repository performance assessment purposes. The U(IV) constants were obtained by developing an approach based on the solubility product of amorphous U(OH)4. The U(VI)...

Prussian blue and its analogues consisting of different transition-metal ions (Fe, Mn, Ni, Cu, Co and Zn) have been synthesized at room temperature. Insertion of Na into KFe(2)(CN)(6) in a carbonate electrolyte exhibited a reversible capacity near 100 mA h g(-1) with no capacity fade in 30 cycles. The data indicate that a Na-ion battery with a Prussian blue framework as a cathode will be feasible.

A molecular dynamics simulation has been performed on the greenhouse gases carbon dioxide and methane dissolved in a sodium chloride aqueous solution, as a simple model of seawater. A carbon dioxide molecule is also treated as a hydrogen carbonate ion. The structure, coordination number, diffusion coefficient, shear viscosity, specific heat, and thermal conductivity of the solutions have been d...

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics simulations of explicit liquid EC/graphite interfaces are conducted to study these electrochemical reactions. We show that carbon edge terminations are crucial at th...

Granulometric, mineralogical and morphological investigation of the sea-bottom sediments in the Grgur Channel has revealed fi ve sediment types, the most frequent of which are muds containing some amount of coarse fractions (sand and gravel). The coarsest fractions are predominantly composed of recent shell fragments. Unexpected well rounded carbonate gravel was found SE of Prvić Island in 83 m...