A finite differences MATLAB code for the numerical solution of second order singular perturbation problems

We show the main features of the MATLAB code HOFiD_UP for solving second order singular perturbation problems. The code is based on high order finite differences, in particular on the generalized upwind method. Within its simplicity, it uses order variation and continuation for solving any difficult nonlinear scalar problem. Several numerical tests on linear and nonlinear problems are considered. The best performances are reported on problems with perturbation parameters near the machine precision, where most of the codes for two-point BVPs fail.     

Determination of wine aroma compounds by dehydration followed by GC/MS

A new extraction method for the analysis of the volatile fraction of white and red wines has been developed and validated. A dehydration step with MgSO4 separated an aroma compounds-rich alcoholic-glycerine layer. Spiked samples showed good recoveries in the range between 75 and 120% with CVmax% of 17, except for 2-phenylethanol and y-butyrolactone for which recoveries in red wines were under 60%, and for monoethylsuccinate, where recoveries averaged 50 and 60% in white and red wines, respectively. Method repeatability and intermediate precision showed good CVmax% with minimum and maximum values between 7.7 and 24, and between 18.7 and 25.0, respectively. The average determination coefficients were greater than 0.99 with CVmax% of 13. The instrumental LOD and LOQ were, in all cases, under 0.05 mg/L, except for 2,3 butanediol (0.20 mg/L). Overall, the presence of wine matrix affected aroma compounds responses in GC/MS analysis. These observations indicate that the use of a matrix-matched calibration curve is mandatory to obtain reliable quantitative data.     

Hydrogenation of Quinoline by Rhodium Catalysts Modified with the Tripodal Polyphosphine Ligand MeC(CH2PPh2)3

As part of our modelling studies of the hydrodenitrogenation of N‐heterocycles contained in raw oil materials, we investigated the selective hydrogenation of quinoline to 1,2,3,4‐tetrahydroquinoline by rhodium catalysts modified with the tripodal polyphosphane ligand MeC(CH₂PPh₂)₃. Experiments in standard autoclaves and in high‐pressure sapphire NMR tubes, kinetic and isotope labelling studies, and independent reactions with isolated compounds have contributed to the elucidation of the catalytic mechanism as well as identification of the electronic requisites of the metal catalyst for selective and efficient hydrogenation.     

[Re5(μ-H)4(CO)20]− and [Re5(μ-H)5(CO)20], Two Isolobal Analogues of Cyclopentane

The first five-membered rings of metal atoms connected by M–M or M-H-M bonds only have been obtained by a Re₂+Re₃ condensation in which a polyhydride acts as a bridging bidentate ligand toward a coordinatively unsaturated fragment (see scheme below). In spite of the octahedral coordination of the Re centers, the Re₅ rings display conformations (twisted and envelope) comparable with those observed for organic five-membered rings of tetrahedral carbon atoms.     

Physicochemical characterization of chemical hydrogels based on PVA

In this paper, we report on the physicochemical characterization of hydrogels recently obtained by crosslinking poly (vinylalcohol), PVA, with telechelic PVA (telPVA, bearing terminal aldehydic groups) via acetalization in aqueous solution. These gels were studied by equilibrium swelling, compression modulus measurements, and proton relaxometry experiments. Swelling and compression modulus data allow to estimate the average molecular weight of PVA chain between crosslinks, the average mesh size of the networks, and the polymer–solvent interaction parameter χ₁. The average mesh size of PVA‐telPVA compares well with domain dimensions of diffusionally confined water as detected by NMR relaxometry. Proton relaxometry also showed different network domains in which water is compartmentalized, indicating a complex heterogeneity. The study of the temperature behavior of the nuclear spin–spin relaxation times of the confined water was also considered. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 1225–1233, 1999     

Extended Fuzzy C-Means and Genetic Algorithms to Optimize Power Flow Management in Hybrid Electric Vehicles

The need for personal transportation must be harmonized by considering the impact of so huge number of vehicles on the environment. The adoption of hybrid electric vehicles can provide a sensible improvement from an environmental viewpoint, but at the same time makes more difficult the definition and implementation of the overall powertrain control mechanism. In fact, powertrain control problems are known to be very complex due to conflicting requirements, and this difficulty augments in case of hybrid electric vehicles. Most of the features of the future hybrid electric vehicles are enabled by a new energy flow management unit designed to split the instantaneous power demand between the internal combustion engine and the electric motor, ensuring both an efficient power supply and reduced emissions. Classic approaches that rely on static thresholds, optimized on a fixed drive cycle, cannot face the high dynamicity and unpredictability of real-life drive conditions. The need to actually control a real vehicle stimulates the research of innovative methodologies for the real-time identification of the operating points of each energy source. This paper is framed into this context: after a brief discussion about a non-conventional formalization of the energy flows problem based on a multiobjective function, a knowledge-based control system for splitting the vehicle's power demand between the engine and motor is presented. The proposed approach exploits a fuzzy clustering criterion that combined with a genetic algorithm, permits to achieve better results, both in terms of a reduced computational effort and an improved efficiency of the control system over various driving cycles. To validate the proposed approach, simulation tests and comparisons with other energy management strategies are discussed.     

Correlation Inequalities for Spin Glasses

We prove a correlation type inequality for spin systems with quenched symmetric random interactions. This gives monotonicity of the pressure with respect to the strength of the interaction for a class of spin glass models. Consequences include existence of the thermodynamic limit for the pressure and bounds on the surface pressure. We also describe other conjectured inequalities for such systems. Submitted: January 6, 2007. Accepted: May 10, 2007.