14 research outputs found
Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data
Accuracy of the mean activity coefficient expression
(Hansen-Vieillefosse-Belloni equation), valid within the hypernetted chain
(HNC) approximation, was tested in a wide concentration range against new Monte
Carlo (MC) data for +1:-1 and +2:-2 primitive model electrolytes. The
expression has an advantage that the excess chemical potential can be obtained
directly, without invoking the time consuming Gibbs-Duhem calculation. We found
the HNC results for the mean activity coefficient to be in good agreement with
the machine calculations performed for the same model. In addition, the
thermodynamic consistency of the HNC approximation was tested. The mean
activity coefficients, calculated via the Gibbs-Duhem equation, seem to follow
the MC data slightly better than the Hansen-Vieillefosse-Belloni expression.
For completeness of the calculation, the HNC excess internal energies and
osmotic coefficients are also presented. These results are compared with the
calculations based on other theories commonly used to describe electrolyte
solutions, such as the mean spherical approximation, Pitzer's extension of the
Debye-H\"uckel theory, and the Debye-H\"uckel limiting law.Comment: 15 pages, 6 figure
RICORS2040 : The need for collaborative research in chronic kidney disease
Chronic kidney disease (CKD) is a silent and poorly known killer. The current concept of CKD is relatively young and uptake by the public, physicians and health authorities is not widespread. Physicians still confuse CKD with chronic kidney insufficiency or failure. For the wider public and health authorities, CKD evokes kidney replacement therapy (KRT). In Spain, the prevalence of KRT is 0.13%. Thus health authorities may consider CKD a non-issue: very few persons eventually need KRT and, for those in whom kidneys fail, the problem is 'solved' by dialysis or kidney transplantation. However, KRT is the tip of the iceberg in the burden of CKD. The main burden of CKD is accelerated ageing and premature death. The cut-off points for kidney function and kidney damage indexes that define CKD also mark an increased risk for all-cause premature death. CKD is the most prevalent risk factor for lethal coronavirus disease 2019 (COVID-19) and the factor that most increases the risk of death in COVID-19, after old age. Men and women undergoing KRT still have an annual mortality that is 10- to 100-fold higher than similar-age peers, and life expectancy is shortened by ~40 years for young persons on dialysis and by 15 years for young persons with a functioning kidney graft. CKD is expected to become the fifth greatest global cause of death by 2040 and the second greatest cause of death in Spain before the end of the century, a time when one in four Spaniards will have CKD. However, by 2022, CKD will become the only top-15 global predicted cause of death that is not supported by a dedicated well-funded Centres for Biomedical Research (CIBER) network structure in Spain. Realizing the underestimation of the CKD burden of disease by health authorities, the Decade of the Kidney initiative for 2020-2030 was launched by the American Association of Kidney Patients and the European Kidney Health Alliance. Leading Spanish kidney researchers grouped in the kidney collaborative research network Red de Investigación Renal have now applied for the Redes de Investigación Cooperativa Orientadas a Resultados en Salud (RICORS) call for collaborative research in Spain with the support of the Spanish Society of Nephrology, Federación Nacional de Asociaciones para la Lucha Contra las Enfermedades del Riñón and ONT: RICORS2040 aims to prevent the dire predictions for the global 2040 burden of CKD from becoming true
Analysis of the variation of the compressibility index (Cc) of volcanic clays and its application to estimate subsidence in lacustrine areas
An analysis of the deformation conditions of lacustrine materials deposited
at three sites in the volcanic valley of the Mexico City is presented.
Currently geotechnical studies assume that compressibility of granular
materials decreases in depth due to the lithostatic load. That means that
the deeper the sample the more rigid is supposed to be, this assumption
should be demonstrated by a decreased Compression Index (Cc) in depth.
Studies indicate that Mexico City clays exhibit brittle behaviour, and have
high water content, low shear strength and variable Cc values. Furthermore,
groundwater withdrawal below the city causes a differential decrease in pore
pressure, which is related to the physical properties of granular materials
(hydraulic conductivity, grain size distribution) and conditions of
formation. Our results show that Cc for fine grain materials (lacustrine)
can be vertically variable, particularly when soils and sediments are the
product of different volcanic materials. Lateral and vertical variations in
the distribution of the fluvio-lacustrine materials, especially in basins
with recent volcanic activity, may be assessed by Cc index variations. These
variations can also be related to differential deformation, nucleation and
propagation of fractures and need to be considered when modelling land
subsidence
Catalytic performance of CoMoW Sulfide catalysts supported on hierarchically structured porous silicas for HDS reactions
In this work, monolithic silica materials with hierarchical porosity were synthesized by the sol-gel method combined with a dual hard-soft templating route. Silica materials were used for the synthesis of hydrodesulfurization CoMoW-S catalysts by the immersion technique using transition metal salts as precursors, followed by oxidation and sulfidation in H2S/H2 mixture. Styrene-HEMA copolymer hard template presented homogeneous well-defined spherical shape with an average diameter of about 800 nm. Samples prepared over the hard template presented similar morphology. The surface areas of all supports prepared resulted in around 800 m2.g−1 and decreased to 220 m2.g−1 on average after the sulfidation process. Small-angle X-ray diffraction confirmed the presence of the 2D hexagonal or Im3m array of mesopores in all samples. The CoMoW oxide state catalysts presented low intensity peaks assigned to the b-CoMo(W)O4 phase and minor peaks related to MoO3 and polyoxides with the general formula MoxW1-xO3. The high conversion was obtained for catalysts supported on hierarchically structured porous silicas, even greater than that of the commercial catalyst used as reference (>30–50%). XPS results revealed that the degree of sulfidation and CoMoWS active species resulted higher in the CoMoW-HOPSCM catalyst compared to the CoMoW-MoNoSBA-15 sample, which in turn coincides with the catalytic activity results