A framework to perform high-order deconvolution for finite-volume method on simplicial meshes

In this article, a new framework to design high-order approximations in the context of node-centered finite volumes on simplicial meshes is proposed. The major novelty of this method is that it relies on very simple and compact differential operators, which is a critical point to achieve good performances in the High-performance computing context. This method is based on deconvolution between nodal and volume-average values, which can be conducted to any order. The interest of the new method is illustrated through three different applications: mesh-to-mesh interpolation, levelset curvature computation, and numerical scheme for convection. Higher order can also be achieved within the present framework by introducing high-rank tensors. Although these tensors feature much symmetries, their manipulation can quickly become an overwhelming task. For this reason and without loss of generality, the present articles are limited to third-order expansion. This method, although tightly connected to the k-exact schemes theory, does not rely on successive corrections: the high-order property is obtained in a single operation, which makes them more attractive in terms of performances.     

Approximate Simulation Techniques and Distribution of an Extended Gamma Process

In reliability theory, many papers use a standard Gamma process to model the evolution of the cumulative deterioration of a system over time. When the variance-to-mean ratio of the system deterioration level varies over time, the standard Gamma process is not convenient any more because it provides a constant ratio. A way to overcome this restriction is to consider the extended version of a Gamma process proposed by Cinlar (J Appl Probab 17:467–480, 1980). However, based on its technicality, the use of such a process for applicative purpose requires the preliminary development of technical tools for simulating its paths and for the numerical assessment of its distribution. This paper is devoted to these two points.     

Synthesis of water‐soluble allyl‐functionalized oligochitosan and its modification by thiol–ene addition in water

A novel, straightforward and versatile chemical pathway has been studied to functionalize water‐soluble chitosan oligomers. This metal‐free methodology is based on the epoxy‐amine reaction of the allyl glycidyl ether with chitosan, followed by thiol‐ene radical coupling reaction of ω‐functional mercaptans, using 4,4′‐Azobis(4‐cyanovaleric acid) as a free radical initiator. Both reactions were entirely carried out in water. In a preliminary step, chitosan depolymerization was carried out using H₂O₂ in an acetic medium under 100 W microwave irradiation, optimizing the yield of water‐soluble oligomers. Functionalization by six different thiols bearing alcohol, carboxylic acid, ester, and amino groups was then performed, leading to a range of functional oligochitosans with different grafting efficiencies. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 39–48     

The convolution and multiplication of one‐dimensional associated homogeneous distributions

The set of associated homogeneous distributions (AHDs) with support in R is an important subset of the tempered distributions because it contains the majority of the (one‐dimensional) distributions typically encountered in physics applications (including the δ distribution). In a previous work of the author, a convolution and multiplication product for AHDs on R was defined and fully investigated. The aim of this paper is to give an easy introduction to these new distributional products. The constructed algebras are internal to Schwartz’ theory of distributions and, when one restricts to AHDs, provide a simple alternative for any of the larger generalized function algebras, currently used in non‐linear models. Our approach belongs to the same class as certain methods of renormalization, used in quantum field theory, and are known in the distributional literature as multi‐valued methods. Products of AHDs on R, based on this definition, are generally multi‐valued only at critical degrees of homogeneity. Unlike other definitions proposed in this class, the multi‐valuedness of our products is canonical in the sense that it involves at most one arbitrary constant. A selection of results of (one‐dimensional) distributional convolution and multiplication products are given, with some of them justifying certain distributional products used in quantum field theory. Copyright © 2012 John Wiley & Sons, Ltd.     

Novel dialkyl vinyl ether phosphonate monomers: Their synthesis and alternated radical copolymerizations with electron‐accepting monomers

Three new vinyl ether monomers containing phosphonate moieties were synthesized from transetherification reaction. We showed that the yield was dependent on the spacer length between the vinyl oxy group and the phosphonate moieties: when the spacer is a single methylene side reaction may occur, leading to the formation of acetal compounds. Free‐radical copolymerizations of phosphonate‐containing vinyl ether monomers with maleic anhydride were carried out, leading to alternated copolymers of rather low molecular weights (from 1000 to 7000 g/mol). Both gel permeation chromatography and ³¹P NMR analyses enhanced possible intramolecular transfer reactions occurring from the phosphonate moieties. Kinetic investigation showed that the electron‐withdrawing character of the phosphonate moieties tends to decrease the rate of copolymerization. Nevertheless, almost complete monomers conversion was reached after 30 min of reaction with dimethyl vinyloxyethylphosphonate (VEC₂PMe). Then, radical copolymerization of VEC₂PMe with a series of electron‐accepting monomers, that is, dibutyl maleate, dibutylitaconate, itaconic anhydride, butyl maleimide, and methyl maleimide, led to a series of alternated copolymers. From kinetic investigation, we showed that the higher the electron‐accepting effect, the faster the vinyl ether consumption and the higher the molecular weights. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Theoretical and empirical approaches to understanding the effect of phosphonate groups on the thermal degradation for two chemically modified PMMA

The influence of phosphonated groups on thermal degradation and flammability has been investigated in the case of two chemically modified PMMA. Thermogravimetric analysis as well as pyrolysis combustion flow calorimetry have been used to define the efficiency of phosphorus in both condensed and vapor phases. A theoretical study was also performed to determine the contribution of phosphonated groups to the effective heat of combustion, residue content and heat release capacity. Empirical and theoretical approaches agreed to highlight that PMMA modified with monophosphonated comonomer is more efficient in both condensed and vapor phases in terms of flammability and char formation. These results were attributed to the ability of phosphonate groups to interact with ester groups and also to the weakness of the P–C–N bonds. Moreover, this study proposes a method for designing the chemical environment of phosphonate group in polymers to achieve better flame retardancy.     

Spectral intensities in the ν1 band of carbonyl sulfide and its isotopic species

A tunable diode laser was used to perform measurements of absolute lines intensities in the ν₁ fundamental of carbonyl sulfide. Spectra have also been recorded for the following isotopic species: ¹⁶O¹²C³⁴S, ¹⁶O¹³C³²S and ¹⁶O¹²C³³S. The vibrational band strength S_v⁰ was calculated at 298 K. The absolute intensity for 100% of ¹⁶O¹²C³²S species is found to be S_v⁰ = 29.69 ± 0.15 cm⁻² atm⁻¹ with the uncertainty covering three times the standard deviation. We have tried to determine the α-coefficient involved in the Hermann-Wallis factor F = (1 + αm + )² and the value is found to be negligible (−5 ± 8) × 10⁻⁵. The S_v⁰ value obtained for the other isotopic species is very close to the normal one.     

N2-broadening coefficients in the ν2 and ν4 bands of PH3

N₂-broadening coefficients are measured for 61 transitions of PH₃ in the ^QR branch of the ν₂ band and the ^PP, ^RP, ^SP, and ^PQ branches of the ν₄ band, using a tunable diode-laser spectrometer. The recorded lines with J values ranging from 1 to 16 and K from 0 to 11 are located between 1008 and 1106 cm⁻¹. The collisional widths are determined by fitting each spectral line with a Voigt profile, a Rautian profile, and a speed-dependent Rautian profile. The latter models provide larger broadening coefficients than the Voigt model. These coefficients have also been calculated on the basis of a semiclassical model of interacting linear molecules by considering an atom-atom Lennard-Jones potential in addition to the electrostatic contributions. The theoretical results are in good agreement with the experimental data and reproduce the J dependence of the broadenings, but their decrease at high J values is overestimated for the ^QR (J, K) transitions.     

Analysis of Mexican cigarettes by INAA

Due to large consumption of tobacco in Mexico and in order to complement previous work performed by total reflection X-ray fluorescence, the present study has determined 15 elements by INAA in 9 cigarettes brands being marketed in Mexico. As a part of a Quality Control Program, NIST standard reference materials (SRM) and an IAEA reference material were analyzed to confirm the accuracy and reproducibility. Average of As and Cd were 0.56 and 1.15 μg·g⁻¹, respectively, in the range of those of foreign brands.