Thermodynamically consistent Reference Interaction Site Model theory of the tangent diatomic fluid

Thermodynamic and structural properties of the tangent diatomic fluid are studied in the framework provided by the Reference Interaction Site Model (RISM) theory, coupled with a Modified Hypernetted Chain closure. The enforcement of the internal thermodynamic consistency of the theory is described in detail. The results we obtain almost quantitatively agree with available or newly generated simulation data. We envisage the possibility to extend the consistent RISM formalism to generic, more realistic molecular fluids.Comment: Typeset with LaTeX, 6 pages, 3 figures (5 subfigures), 28 references, submitted to Chem. Phys. Let

Epidemiology and risk factors in osteoarthritis: literature review data from "OASIS" study

Ostheoarthritis (OA) is a social disease characterized by pain, inflammation and stiffness due to an involvement of articular cartilage, soft tissues and bone. OA is the most common rheumatic disease, every age can be affected but prevalence increases dramatically with age with a greater incidence in subjects between 40 and 50 years of age. Hip OA has an important correlation with weight, genetic factors, sex, previous traumas, occupational factors and age. People older than 35 have a prevalence of Hip OA of 10,8% that becomes 35,4% in people older than 85. Knee OA has a great correlation with weight, life style and physical activity. An Italian study has demonstrated that the prevalence of this kind of OA is highest in subjects older than 65 that becomes 44% in people older than 80. In this report we explain the results of a study conducted in the South of Italy called the OstheoArtrithis Southern Italy Study (OASIS) that involved 456 doctors and 1782 patients of three different regions. The mean age of these patients was 66,3 years and we evaluated prevalence of hip, knee, hand and spine OA and correlated it to sex, age, weight and BMI. We also evaluated what kind of drugs were used for these patients. Knee OA is the most common subset of OA, the one that requires the highest number of examinations and the one that causes the greatest disability. The most common used drugs are Fans and Coxibs. Condroprotectors were not used much, probably because they are not considered to be very effective

The MgH2 conversion reaction in a lithium cell

MgH2 electrochemical conversion reaction is a valuable alternative to Li intercalation into graphite for next generation Li-ion cells [1]. MgH2 has a theoretical capacity of 2048 mAhg-1, 5 times larger than of graphite. The incorporation of lithium occurs by the reduction of magnesium hydride to magnesium metal nanoparticles surrounded by an amorphous matrix of lithium hydride [1,2] (hydride conversion reaction, HCR). “Going-nano” plays a key role in the promotion of the MgH2 HCR. This last effect can be thermodynamic and/or kinetic as it may involve variation of the chemical potentials of nanophases as well as drastic improvements in the ion diffusivity. It is well known that the reduction of MgH2 particle size to the nanoscale promotes the hydrogen release at moderate temperatures by tuning up the desorption thermodynamics [3]. It is likely that similar effects play a role also in the case of room temperature HCR processes in Li-cells. In this communication we discuss our recent results about the MgH2 conversion reaction in a lithium cell. Our study combines computational and experimental efforts in order to derive a comprehensive picture of the MgH2 HC

New Insight on the Failure Mechanism of Nano-Si Based Anodes for Li-Ion Batteries

ChemE/Chemical EngineeringApplied Science

H2 thermal desorption and hydride conversion reactions in Li cells of TiH2/C amorphous nanocomposites.

Here we investigate the properties of amorphous TiH2/carbon nanocomposites as possible active material in lithium cells. Several TiH2/C mixtures are prepared by a mechanochemical route, by varying the carbon/hydride ratio. Materials are tested in electrochemical cells versus lithium metal in EC:DMC LiPF6 electrolyte by galvanostatic cycling (GC) and are characterized by X-ray diffraction, transmission electron microscopy, thermogravimetry and mass spectrometry. Thermal dehydrogenation processes are altered by the mechanochemical treatment of the sample: milling decreases the hydrogen content of the hydride. On the other hand, the mechanochemical grinding increases the specific capacity delivered during the first GC discharge