Particle-resolved numerical simulations of the gas–solid heat transfer in arrays of random motionless particles

Particle-resolved direct numerical simulations of non-isothermal gas–solid flows have been performed and analyzed from microscopic to macroscopic scales. The numerical configuration consists in an assembly of random motionless spherical particles exchanging heat with the surrounding moving fluid throughout the solid surface. Numerical simulations have been carried out using a Lagrangian VOF approach based on fictitious domain framework and penalty methods. The entire numerical approach (numerical solution and post-processing) has first been validated on a single particle through academic test cases of heat transfer by pure diffusion and by forced convection for which analytical solution or empirical correlations are available from the literature. Then, it has been used for simulating gas–solid heat exchanges in dense regimes, fully resolving fluid velocity and temperature evolving within random arrays of fixed particles. Three Reynolds numbers and four solid volume fractions, for unity Prandtl number, have been investigated. Two Nusselt numbers based, respectively, on the fluid temperature and on the bulk (cup-mixing) temperature have been computed and analyzed. Numerical results revealed differences between the two Nusselt numbers for a selected operating point. This outcome shows the inadequacy of the Nusselt number based on the bulk temperature to accurately reproduce the heat transfer rate when an Eulerian–Eulerian approach is used. Finally, a connection between the ratio of the two Nusselt numbers and the fluctuating fluid velocity–temperature correlation in the mean flow direction is pointed out. Based on such a Nusselt number ratio, a model is proposed for it

Study of the physicochemical quality of water in the Sebi-Ponty basin at Diamniadio (Senegal)

The Sebi-Ponty dam has a basin that is widely used by the population for agro-pastoral activities (animal watering, agriculture, etc.). This basin covers an average area of 106,000 m2 and an average depth of 7 m or about a volume of 435,000 m3. The origin of the water is rainfall (runoff and direct descent). The availability of water is estimated to eight months taking into account the water being drawn, infiltration and evaporation. A qualitative knowledge of the contents of this pool will be a great benefit to those activities of the population. Itrsquos in this context that this study was carried out by this group of researchers, following physic-chemical compositions were targeted: turbidity, color, temperature, conductivity, pH, hardness alkalinity, nitrite, iron, phosphate, boron, and chlorine concentrations. The physico-chemical results obtained on samples taken in the basin between October and December showed that the concentrations of boron, iron and nitrite exceeded the levels recommended by the standard for agro pastoral needs. While turbidity, color, temperature, conductivity, pH, hardness, alkalinity, phosphate and chlorine are at acceptable levels

Lanthanide(III) complexes with tridentate Schiff base ligand, antioxidant activity and x-ray crystal structures of the Nd(III) and Sm(III) complexes

The tridentate N4-type Schiff base was synthesized from the condensation reaction of 2-hydrazinopyridine and pyridine-2-carbaldehyde. Neodymium and Samarium complexes were isolated when the corresponding nitrate salt was added to the solution of the ligand. The isolated compounds were characterized by elemental analyses, IR study, room temperature magnetic measurements and single X-ray crystal diffraction of the two crystals. Both complexes crystallize in the monoclinic system with space group P21/c. The cell parameters of the Nd complex are a=11.0927(8) Å, b=17.9926 (13) Å, c=11.9395(9)Å and β = 115.274(5) ° while the Sm complex shows parameters cell of a = 11.0477(8) Å, b = 17.9254(13) Å, c = 11.9149(8) Å and β =115.489(5) °. The X-ray study reveals isotopic Nd/Sm binuclear structures were each metal ion is nine-coordinated in the same fashion. Both metal centers have distorted tricapped trigonal prism geometry, with the Schiff base acting as tridentate ligand. The DPPH· radical scavenging effects of the Schiff base ligand and its Ln(III) complexes were screened. The Ln(III) complexes were significantly more efficient in quenching DPPH· than the free Schiff base ligand.Keywords: Lanthanide complexes, hydrazino, antioxidant activity, X-ray structur

Synthesis, physical studies and crystal structure determination of Y(III) and Er(III) complexes of 1-(pyridin-2-yl)-2-(pyridine-2-ylmethylene)hydrazine

Two isotype mononuclear yttrium(III) and erbium(III) complexes, {[Y(HL)(OAc)2(H2O)2]. (H2O)∙(NO3)} (1) and {[Er(HL) (OAc)2(H2O)2].(H2O)∙(NO3)} (2), where HL is the neutral Schiff base ligand 1-(pyridin-2-yl)-2-(pyridine-2-ylmethylene)hydrazine, and OAc is the acetate anion, have been synthesized and characterized by physicochemical methods and single crystal X-ray determination. Both complexes crystallizes in the triclinic space group Pī with unit cell dimensions for complex of Y(III) a = 7.909 (2) Å, b = 11.718 (4) Å, c = 12.497 (3) Å,    α = 78.907 (3)°, b = 73.840 (3)°, γ = 72.074 (3)°, V = 1051.26 (6) Å3, Z = 2, R1 = 0.051 and    wR2 = 0.112 and for complex of Er(III)a = 7.913 (1) Å, b = 11.719 (2) Å, c = 12.487 (2) Å,          α = 78.832 (1)°, α = 73.674 (1)°, γ = 72.012 (1)°, V = 1049.64 (3) Å3, Z = 2, R1 = 0.028, and   wR2 = 0.062. In both complexes, the coordination polyhedra around Ln(III) atoms are best described as a distorted tricapped trigonal prism. Antioxidant activities of the ligand and its Y(III) and Er(III) complexes are studied

CHEMICAL COMPOSITION OF ESSENTIAL OILS AND FLORAL WATERS OF EUCALYPTUS CAMALDULENSIS (DEHN) FROM TWO LOCATIONS IN SENEGAL

peer reviewedEucalyptus camaldulensisDehnh leaves from two locations in Senegal (Dakar and Saint Louis) were dried for 14 and 21 days prior to distillation of essential oils by steam distillation and extraction of floral water. Essential oil yields were 0.7 to 2.0%. Oils were analyzed by gaschromatography coupled to a flame ionization detector (GC-FID) and by gas chromatography coupled to a mass spectrometer (GC-MS) equipped with methyl-phenyl–polysiloxane 5% column. Floral waters chemical composition was analyzed by GC-FID and GC-MS equipped with a polar column (VF-Wax ms). Results showed qualitative and quantitative differences in composition between oils from Hann (Dakar) and Bango (Saint Louis). The main constituents of oils were hydrocarbon monoterpenes with 80.9-83.0% for Hann (Dakar) and 51.5-50.6% for Bango (Saint-Louis). Dakar oils contained α-phellandrene as the major compound, with 45.3% and 47.7% after 14 and 21 days of drying, respectively. Other compounds such as p-cymene, α-pinene and 1,8-cineole were identified. The Saint-Louissample showed a very high content of β-phellandrene after 14 and 21 days of drying respectively, and α-pinene and p-cymene was also noted. Furthermore, the floral waters analysis revealed high concentrations of oxygenated compounds whose major part was present in oils. It was also noted qualitative and quantitative differences in floral waters composition. Dakar floral water contained 1,8-cineole (28.2%), terpinen-4-ol (20.3%)α-phellandrene-epoxide (15.9%)and α-terpineol (7%). The Saint-Louis floral water showed a high content of 1,8-cineole (19.2%), α-terpineol (15.4%), terpinen-4-ol (10.8%) and trans-pinocarveol (9.5%

Modélisation et simulation numérique directe des transferts de chaleur dans les écoulements fortement chargés en particules

Les travaux de simulation menés au cours de cette thèse ont eu pour but de caractériser et de comprendre les phénomènes liés au transfert de chaleur dans des configurations de réseau aléatoire de particules ou de lit fluidisé. Sur la base de simulations numériques résolues à l'échelle des particules, ces configurations d'écoulements diphasiques anisothermes permettent d'extraire des grandeurs physiques locales liées à la microstructure de la suspension ou des informations globales tel que le coefficient de transfert moyen du lit. La première étape des travaux a consisté en la vali- dation de l'outil numérique autant sur l'hydrodynamique que sur le transfert thermique en passant par différents cas d'études académiques ( convection et conduction autour d'une sphère isolée). Ensuite une analyse détaillée du transfert de chaleur est conduite sur des lits fixes pour différentes fractions volumiques de particules, plusieurs nombres de Reynolds et de Prandtl afin d'aboutir à une modélisation macroscopique du flux de chaleur. Sur les configurations de lit fluidisé, les paramètres de simulation ont été variés afin d'étudier la sensibilité des différentes grandeurs hydrodynamiques à la résolution du maillage. Ceci a permis de déterminer les configurations de simulations de lit fluidisé liquide-solide anisotherme pour un coût de calcul modéré. Enfin, une analyse comparative du transfert thermique entre lits fixes et lits fluidisés a mis en évidence les spécificités liées à l'agitation des particules sur le transfert. Ces études ont été conduites dans le but d'obtenir une meilleure modélisation mésoscopique des échanges thermiques dans les écoulements diphasiques et ainsi améliorer leur modélisation à l'échelle macroscopique.To better characterize and understand heat transfer in fixed and fluidized beds of particles, numerical studies have been carried out in this work. Based on fully Particle Resolved Numerical Simulation (PR-DNS) local and instantaneous informations have been obtained at microscopic scale and further analyzed at macroscopic scale by means of volume and time averages. The first step consisted in a thorough validation of the numerical code on academic configurations (conduction and convection around a single particle). Then, an analysis in arrays of random fixed particles was carried out for several particle volume fractions, Reynolds and Prandtl numbers. From this analysis, the solid-fluid heat transfer was investigated at macroscopic scale and a closure model for the pseudo-turbulent heat flux was proposed. Finally, fluidized bed simulations were performed. These simulations needed a preliminary numerical study in order to select appropriate numerical parameters for accurately reproducing the fluidization with a moderate computational cost. Furthermore, a comparative study of the heat transfer in fixed and fluidized beds was carried out. The entire study aimed at improving the understanding of the heat transfer in particulate flows and dense regimes, in order to provide information for the modeling at macroscopic scale

Analysis of heat transfer and transport in dense particle-laden flows by full-resolved-particle direct numerical simulations

Les travaux de simulation menés au cours de cette thèse ont eu pour but de caractériser et de comprendre les phénomènes liés au transfert de chaleur dans des configurations de réseau aléatoire de particules ou de lit fluidisé. Sur la base de simulations numériques résolues à l'échelle des particules, ces configurations d'écoulements diphasiques anisothermes permettent d'extraire des grandeurs physiques locales liées à la microstructure de la suspension ou des informations globales tel que le coefficient de transfert moyen du lit. La première étape des travaux a consisté en la vali- dation de l'outil numérique autant sur l'hydrodynamique que sur le transfert thermique en passant par différents cas d'études académiques ( convection et conduction autour d'une sphère isolée). Ensuite une analyse détaillée du transfert de chaleur est conduite sur des lits fixes pour différentes fractions volumiques de particules, plusieurs nombres de Reynolds et de Prandtl afin d'aboutir à une modélisation macroscopique du flux de chaleur. Sur les configurations de lit fluidisé, les paramètres de simulation ont été variés afin d'étudier la sensibilité des différentes grandeurs hydrodynamiques à la résolution du maillage. Ceci a permis de déterminer les configurations de simulations de lit fluidisé liquide-solide anisotherme pour un coût de calcul modéré. Enfin, une analyse comparative du transfert thermique entre lits fixes et lits fluidisés a mis en évidence les spécificités liées à l'agitation des particules sur le transfert. Ces études ont été conduites dans le but d'obtenir une meilleure modélisation mésoscopique des échanges thermiques dans les écoulements diphasiques et ainsi améliorer leur modélisation à l'échelle macroscopique.To better characterize and understand heat transfer in fixed and fluidized beds of particles, numerical studies have been carried out in this work. Based on fully Particle Resolved Numerical Simulation (PR-DNS) local and instantaneous informations have been obtained at microscopic scale and further analyzed at macroscopic scale by means of volume and time averages. The first step consisted in a thorough validation of the numerical code on academic configurations (conduction and convection around a single particle). Then, an analysis in arrays of random fixed particles was carried out for several particle volume fractions, Reynolds and Prandtl numbers. From this analysis, the solid-fluid heat transfer was investigated at macroscopic scale and a closure model for the pseudo-turbulent heat flux was proposed. Finally, fluidized bed simulations were performed. These simulations needed a preliminary numerical study in order to select appropriate numerical parameters for accurately reproducing the fluidization with a moderate computational cost. Furthermore, a comparative study of the heat transfer in fixed and fluidized beds was carried out. The entire study aimed at improving the understanding of the heat transfer in particulate flows and dense regimes, in order to provide information for the modeling at macroscopic scale

Crystal structure of N'-[4-(dimethylamino)benzyl-idene]furan-2-carbohydrazide monohydrate

The condensation of 2-furoic hydrazide and 4-dimethyl aminobenzaldehyde in ethano yielded a yellow solid formulated as the title compound,C14H15N3O2H2O. The crystal packing is stabilized by intermolecular O(water)—H···O,N(carbohydrazide) and N—H···O(water) hydrogen bonds,which form a two-dimensional network along the bc plane. Additional C—H···O interactions link the molecules into a three-dimensional network. The dihedral angle between the mean planes of the benzene and the furan ring is 34.47 (6)º. The carbohydrazide moiety, i.e., the C=N—N—C=O fragment and the benzene ring are almost coplanar, with an angle of 6.75 (9)º between their mean planes

Synthesis, characterization and crystal structure of 1-(2-benzamidophenyl)-3-benzoylthiourea Hemihydrate

The dissymmetric compound C21H17N3O2S.0.5H2O obtained by a reaction of 1,2-diaminobenzene, potassium thiocyanate and benzoyl chloride in 1/1/2 ratio is characterized by elemental analyses, IR, and NMR spectroscopies. The structure is elucidated by X-ray diffraction technic. The compound crystallizes in the monoclinic system with a space group of I2. The asymmetric unit contains one hemihydrate organic molecule. The title thiourea derivative, features an almost planar, C2N2S (S1/N1/N2/C7/C8) moiety, with a maximum deviation from the least-squares plane of 0.0422 (3) Å. This moiety is flanked by a disubstituted and a monosubstituted phenyl rings. The dihedral angles between the thiourea and the monosubstituted phenyl ring and the thiourea and the central disubstituted phenyl ring are respectively 10.418 (7)° and 60.292 (2)°, indicating twist in the molecule. On the other arm, a phenyl ring supported by an amide function, which is linked to the central ring through the nitrogen atom, is present. The dihedral angle between this phenyl group and the central disubstituted phenyl is 76.862 (7)° showing that their mean planes are not coplanar. Intramolecular S(thiono)—H…O(water) hydrogen bonds which close in S(6) and S(7) rings consolidate the conformation. Intermolecular N(amido)—H…O(carbonyl) which form layers parallel to the ac plane stabilized the structure

Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton

We report the synthesis and structures of two transition-metal complexes involving 2-(2-hydroxyphenyl)benzimidazole (2hpbi – a ligand of interest for its photoluminescent applications), with cobalt, namely, bis[μ-2-(1H-1,3-benzodiazol-2-yl)phenolato]bis[ethanol(thiocyanato)cobalt(II)], [Co2(C13H9N2O)2(NCS)2(C2H6O)2], (1), and manganese, namely, bis[μ-2-(1H-1,3-benzodiazol-2-yl)phenolato]bis{[2-(1H-1,3-benzodiazol-2-yl)phenolato](thiocyanato)manganese(III)} dihydrate, [Mn2(C13H9N2O)4(NCS)2]·2H2O, (2). These structures are two recent examples of a fruitful collaboration between researchers at the Laboratoire de Chimie de Coordination Organique/Organic Coordination Chemistry Laboratory (LCCO), University of Dakar, Senegal and the National Crystallography Service (NCS), School of Chemistry, University Southampton, UK. This productive partnership was forged through meeting at Pan-African Conferences on Crystallography and quickly grew as the plans for the AfCA (African Crystallographic Association) developed. This article therefore also showcases this productive partnership, in celebration of the IUCr's 75 year anniversary and the recent inclusion of AfCA as a Regional Associate of the IUCr