Miracle-dz/UniFAR-FTUs huggingface dataset:
Removal of Nickel and Boron from Plating Rinse Effluent by Electrochemical and Chemical Techniques

In this work, electrotreatment of nickel and boron containing plating rinse effluents was studied with mild steel and aluminum electrodes. Industrial effluent treatment directly by an electrochemical technique is capable of removing 80–85 % nickel. The residual nickel interfered with boron determination by curcumin method. The pH fall during electrotreatment in industrial effluent is due to electrodeposition of nickel at the cathode surface, evidenced by simulated effluent treatment. Nickel concentration can be reduced below the discharge limit from the industrial plating effluent by chemical precipitation and coagulation at pH above 8. Chemical precipitation showed maximum boron removal of about 50 %. Boron removal was 29.3–41.9 % and 20.6–33.1 % with ferric chloride and aluminum sulfate, respectively. A combination of chemical precipitation at pH 8.7 followed by electrotreatment reduces nickel to the discharge limit and also maximizes boron removal up to 59 %.
Desorption Kinetics at Atmospheric Pressure: Alkali Metal Ion Emission from Hot Platinum Surfaces

The kinetics of potassium and cesium ion desorption from platinum surfaces have been studied with field reversal technique under atmospheric conditions. Rapid electric field reversal outside the surface disturbs the surface population of alkali metal atoms by retarding or accelerating desorbing ions, and the flux of ions from the surface is monitored to determine rate constants for desorption. Ion desorption from polycrystalline platinum surfaces in air is studied to evaluate the potential of the method for in situ high-pressure investigations. Rate constants in the range 10-2−103 s-1 are obtained at surface temperatures of 820−1290 K, and activation energies (frequency factors) of 2.49 ± 0.06 eV (3.7 × 1013 s-1) and 1.80 ± 0.09 eV (5.4 × 1011 s-1) are determined for K+ and Cs+, respectively. The results are in excellent agreement with literature data obtained under ultrahigh vacuum conditions, which confirms that the field reversal technique can be successfully applied under pressurized conditions. The i.
Vapor−Liquid Equilibria by UNIFAC Group Contribution. 6. Revision and Extension

The group contribution method UNIFAC has become very popular because of its large range of applicability and its reliable predictions of vapor−liquid equilibria. With the help of new data stored in the Dortmund Data Bank (DDB), many gaps in the existing UNIFAC parameter matrix have been filled, and many new main groups have been added to the parameter table. In this paper, the parameters for 46 group combinations are provided. Additionally, a new main group for sulfones is introduced, for which the group interaction parameters for eight main groups are fitted.
MULTIVECTOR FIELD FORMULATION OF HAMILTONIAN FIELD THEORIES: EQUATIONS AND SYMMETRIES

We state the intrinsic form of the Hamiltonian equations of first-order Classical Field theories in three equivalent geometrical ways: using multivector fields, jet fields and connections. Thus, these equations are given in a form similar to that in which the Hamiltonian equations of mechanics are usually given. Then, using multivector fields, we study several aspects of these equations, such as the existence and non-uniqueness of solutions, and the integrability problem. In particular, these problems are analyzed for the case of Hamiltonian systems defined in a submanifold of the multimomentum bundle. Furthermore, the existence of first integrals of these Hamiltonian equations is considered, and the relation between Cartan-Noether symmetries and general symmetries of the system is discussed. Noether’s theorem is also stated in this context, both the “classical” version and its generalization to include higher-order Cartan-Noether symmetries. Finally, the equivalence between the Lagrangian and Hamiltonian formalisms is also discussed.
The relationship between gas transport properties and the histology of apple

The relation between skin resistance to gas diffusion, diffusivity and several histological characteristics of apple cvs Braeburn and Jonica was investigated. Large discrepancies were found between the skin resistance values measured by the efflux method and a diffusion method. It is believed that these discrepancies are due to the invalidity of Graham's law in tightly packed tissue, the existence of internal gas gradients and the types of tissue measured in the two methods. The differences between cultivars in diffusivity of O2 and CO2 in the same tissue were related to differences in intercellular space volume and cell size. The spatial pattern of the diffusivity of oxygen and carbon dioxide could be linked to the number of cells, the cell area, the cell perimeter and the internal free space volume. The considerably lower diffusivity in the skin was believed to be caused by both the skin and the very dense tissue of the outer cortex. Changes in diffusivity during storage coincided with changes in the amount of intercellular space and in the shape of the cells. Copyright © 2004 Society of Chemical Industry
Elongational viscosity of narrow molar mass distribution polystyrene

Transient and steady elongational viscosity has been measured for two narrow molar mass distribution polystyrene melts of molar masses 200 000 and 390 000 by means of a filament stretching rheometer. Total Hencky strains of about five have been obtained. The transient elongational viscosity rises above the linear viscoelastic prediction at intermediate strains, indicating strain hardening. The steady elongational viscosities are monotone decreasing functions of elongation rate. At elongation rates larger than the inverse reptation time, the steady elongational viscosity scales linearly with molar mass at fixed elongation rate.
An Experimental Contribution to the Problem of Diamond Synthesis

Pressure up to 30,000 kg/cm2, and in one case 45,000 kg/cm2, has been applied to graphite alone, or to graphite seeded with diamonds, at temperatures above 2000°C. In order to maintain temperatures for times of the order of seconds it is necessary to make the apparatus large, a commercial 1000‐ton press being used to generate the pressure. Two methods were used, external heating with rapid transfer of the heated specimen to the pressure vessel and application of pressure, and internal heating by a modified thermite reaction set off by the pressure itself. No detectable transformation of graphite to diamond was found in any of the experiments. In the experiments with internal heating it was established that the rate of inversion of diamond into graphite at a temperature above the melting point of molybdenum is a function of the pressure. The individual points are considerably scattered, but the mean points lie roughly on a straight line running from 100 percent graphitization at 15,000 kg/cm2 to 0 percent at 30,000 kg/cm2. Linear extrapolation would, therefore, indicate reversible transition from graphite to diamond at higher pressures. It has not been possible to check this by direct experiment. The graphite formed from diamond under these conditions has the same x‐ray structure as ordinary graphite, indicating that there are no previously unknown modifications of graphite in the present range to complicate the problem. In an appendix the theoretical evidence is considered and the conclusion drawn that linear extrapolation of the equilibrium curve between graphite and diamond from data up to 1000°C gives too high values of pressure in a range above 2000° where the velocities become appreciable, and that the equilibrium curve more probably curves upward.
Surfactant partitioning in cloud droplet activation: a study of C8, C10, C12 and C14 normal fatty acid sodium salts

We have measured critical supersaturations of dried single-component particles of sodium caprylate [CH3(CH2)6COONa], sodium caprate [CH3(CH2)8COONa], sodium laurate [CH3(CH2)10COONa] and sodium myristate [CH3(CH2)12COONa] in the diameter range 33–140 nm at 296 K using a static thermal gradient diffusion cloud condensation nucleus counter. These fatty acid sodium salts are surface active molecules which have all been identified in atmospheric aerosol particles. Experimental critical supersaturations increased systematically with increasing carbon chain length and were in the range 0.96–1.34% for particles with a dry diameter of 40 nm. The experimental data were modelled using Köhler theory modified to account for partitioning of the surface active fatty acid sodium salts between the droplet bulk and surface as well as Köhler theory including surface tension reduction without accounting for surfactant partitioning and Köhler theory using the surface tension of pure water. It was found that Köhler theory using the reduced surface tension with no account for surfactant partitioning underpredicts experimental critical supersaturations significantly, whereas Köhler theory modified to account for surfactant partitioning and Köhler theory using the surface tension of pure water reproduced the experimental data well.
Preparation of activated carbons from bamboo and their adsorption abilities for dyes and phenol

Abstract Based on iodine number, adsorption capacity of methylene blue, the BET specific surface area, and the yield, the conditions for preparation of activated carbon as adsorbents from bamboo were optimized. The activation temperature and activation time tested were in the ranges 700∼880 °C and 1∼3 h, respectively. Equilibrium isotherms and rates for the adsorption of two dyes and phenol from aqueous solutions onto such activated carbons were measured at 30 °C. The equilibrium isotherms could be fit by the Langmuir equation and the adsorption rates could be analyzed by a plot of amounts of adsorption versus the square root of time. The present results showed that the activated carbons prepared in this work appeared to be economically promising for the removal of dyes and phenol, compared to other commercial adsorbents.
Modelling soil pore characteristics from measurements of air exchange: the long‐term effects of fertilization and crop rotation

Long‐term cultivation of soils for arable crops and without application of organic manure is thought to reduce the soil quality for crop production. We studied the porosity of two sandy loam soils from organic dairy farms with a ley cropping system and compared them with a conventionally managed dairy farm growing arable crops only and an arable soil receiving only mineral fertilizers, respectively. Saturated hydraulic conductivity, water retention characteristics, air diffusivity and air permeability were determined in the plough layer of the soil.
Removal of synthetic dyes by an eco‐friendly strategy

In this paper an eco‐friendly strategy for the removal of synthetic dyes from aqueous solutions was proposed. Thus, in a first step the dyes were adsorbed onto sunflower seed shells (SS) by using a batch technique. Subsequently, in a second step, these dyed SS were used as support‐substrates to produce laccase by the white‐rot fungus Trametes pubescens under semi‐solid‐state conditions. The effect of inducer addition on laccase production was studied. The optimum conditions (addition of both 0.5 mM Cu+2 and 50 μM tannic acid on the 3rd day of cultivation) led to a maximum laccase activity of 30272 U/L. Further, the system was efficiently scaled‐up to laboratory bioreactors producing a maximum activity of 40172 U/L together with a total decolouration of the adsorbed dye. In addition, SDS‐PAGE showed that laccases were the only enzymes present in the extracellular fluid. Therefore, apart from dye removal this approach allowed the production of high titres of laccase, which was obtained almost pure (only needed to be ultra‐filtrated).
Solutions to the Smoluchowski equation for problems involving the anisotropic diffusion or absorption of a particle

The escape probabilities or the recombination probabilities in diffusion‐controlled reactions are obtained for some special systems which are not centrosymmetric. Specifically, we calculate (1) the escape probability of an electron from N fixed cations, (2) the recombination probability of a pair of radicals in an anisotropic medium, (3) the recombination probability of a radical with each of two statics sinks, and obtain (4) approximate expressions for the recombination probability of a radical with N static sinks in particular configurations. As a by‐product, we obtain the bulk reaction rate for each system. Of special note is our result for the first system listed above. With the proviso that the cation radii are vanishingly small, we find the escape probability to be equal to the reciprocal of the Boltzmann factor for the system. This result factors into a product of isolated geminate ion pair escape probabilities. No competitive effects due to the geometric distribution of the cations appear.
Soil losses under simulated rainfall in semi-arid shrublands of the Ebro Valley, Spain

Runoff and soil loss were measured using simulated rainfall at nine shrubland sites on gypsiferous soils in the Ebro Valley. The sites represented diverse physiographical situations, including three soil types, three slopes and different percentages of rock outcrop and vegetation cover. Soil type, slope and vegetation cover significantly affected runoff and soil losses. An average of 40% of the simulated rainfall (48 mm/h) appeared as runoff and amounts were positively correlated with soil losses. The greatest runoff and soil losses were from plots with the steepest slopes. Rock outcrops decreased soil losses.
INVESTIGATION ON EFFECTIVE DIMENSIONALITY OF DOMAIN GROWTH IN Bi4Ti3O12 FILMS

ABSTRACT Pure Bi4Ti3O12 thin films were prepared on Pt/Ti/SiO2/Si substrates by the metalorganic deposition technique and the switching current densities were measured during a fatigue process. It is found that the peak switching current density and switching time decreases with the increase of switching cycles, which was attributed to a domain wall pinning effect by defects inside thin films. Using the modified Kolmogorov-Avrami theory, the switching current densities were well fitted. The results show that the percentage of 2D domain growth decreases and the percentage of 1D domain growth increase during the fatigue period, which reveals that 2D domain growth has an absolute priority to be pinned compared with 1D domain growth. Based on domain wall pinning effect, the mechanism of the increased activation field during the fatigue process is briefly discussed. These results are of great important in the switching kinetics and fatigue mechanisms in ferroelectric films.
Sensitive Detection of Capsaicin by Adsorptive Stripping Voltammetry at a Boron‐Doped Diamond Electrode in the Presence of Sodium Dodecylsulfate

In the present paper, a sensitive electroanalytical methodology for the determination of capsaicin using adsorptive stripping voltammetry (AdSV) at a boron-doped diamond (BDD) electrode is presented. The voltammetric results indicate that in the presence of sodium dodecylsulfate (SDS) the BDD electrode remarkably enhances the oxidation of capsaicin which leads to an improvement of the peak current with a shift of the peak potential to less negative values. A linear working range of 0.05 to 6.0 µg mL−1 (0.16–20 µM) with a detection limit of 0.012 µg mL−1 (0.034 µM) has been obtained using BDD electrode by AdSV.
Effects of the Ewald sum on the free energy of the extended simple point charge model for water

The effects of including the Ewald sum on several key system properties for the extended simple point charge (SPC/E) model of water, in the temperature range of 140–300 K have been investigated using molecular dynamics simulations. The original SPC/E parameters are used without alteration since this study is intended to determine whether the Ewald sum affects the model sufficiently to warrant reparameterization. Overall comparison to experiment has been improved for the liquid phase as evidenced by several factors. The effect of temperature on the self-diffusivity coefficient has improved in the range from 300 to 200 K. There is a shift in the temperature at which the density maximum occurs (260 K from 255 K in previous simulations of SPC/E water without the Ewald) and the value of ρmax has decreased to 1.0003 g/ml (versus 0.99997 g/ml for experiment at 277 K) from 1.0082 g/ml for the SPC/E model. However, the shape of the ρ(T) profile is worse than without the Ewald sum in comparison to experiment, but i.
Catalysis-assisted plasma technology for carbon tetrachloride destruction

Catalysis-assisted plasma technology is a new concept developed to decompose carbon tetrachloride (CCl/sub 4/), one of the greenhouse gases. A laboratory-scale plasma reactor used a packed-bed reactor with 1 to 3 mm spherical BaTiO/sub 3/ pellets. One configuration of the system used a two-stage process in which the packed-bed reactor was followed by a 1% Pt/Al/sub 2/O/sub 3/ catalyst reactor. The other configuration employed a unique one-stage catalysis/plasma process in which the BaTiO/sub 3/ pellets were coated by active catalysts such as Co, Cu, Cr, Ni, and V. The power supplies used for these experiments were either a 50 Hz neon transformer or an 18 kHz invertor neon transformer. Experiments were performed to characterize the catalytic plasma reactor performance on CCl/sub 4/ destruction. Special attention was focused on the enhancement of the CCl/sub 4/ destruction and the reduction of byproduct CO production by catalyst selection in the one-stage reactor. <<ETX>>
Oxidation mechanism of the Inconel 601 alloy at high temperatures

The Inconel 601 alloy oxidation was performed in air, in the temperature range 1000–1150 °C, during 90 h. Kinetic results show that the parabolic behavior is always followed in this temperature range. The Arrhenius plot of the kp values shows two different activation energies. Between 1000 and 1050 °C the activation energy is Ea1 = 160 ± 10 kJ/mol. In the 1050–1150 °C temperature range a higher value is calculated Ea2 = 252 ± 20 kJ/mol. The Ea2 value and the X‐ray diffraction (XRD) results and scanning electron microscope (SEM) energy dispersive X‐ray spectroscopy (EDS) examinations are in accordance with a scale growth mechanism limited by a growing Cr2O3 scale acting as a diffusion barrier. In the 1000–1050 °C temperature range the activation energy is lower and the structural analyses show that the oxide scale is not only composed of Cr2O3. Then, the oxide scale is composed of titanium oxides (TiO2 and Ti2Cr7O17) and chromia mixed together. A doping effect of the chromia scale by titanium can be envisaged. Our results also show the presence of some Mn1.5Cr1. 5O4 at the external interface. This external subscale spalls off easily during cooling after the highest temperature oxidation tests. Nevertheless, XRD results and SEM–EDS observations show that the Cr2O3 scale remains very adherent on the substrate and can give a good oxidation protection. This good adherence can be related to the presence of a low amount of aluminum in the Inconel 601 alloy composition.
Infrared spectra and structure of synthetic polytripeptides

A number of polytripeptides related to collagen, namely, (Gly‐Pro‐Pro)n, (Gly‐Pro‐Hyp)n, (Gly‐Hyp‐Hyp)n, (Gly‐Pro‐Ala)n, (Gly‐Pro‐Leu)n, (Gly‐Pro‐Gly)n,(Gly‐Ala‐Pro)n, (Gly‐Ala‐Hyp)n, (Ala‐Pro‐Pro)n, and (Ala‐Hyp‐Hyp)n were investigated by the method of ir spectroscopy and hydrogen‐deuterium kinetics. Strength and order of interpeptide hydrogen bonds of the polytripeptides in a triple‐helical conformation were found to depend on the amino acid composition and residue sequence in the triplets. Correlation of X‐ray diffraction and spectroscopic data for (Gly‐Pro‐Hyp)n showed that the increase of the helix parameter in the process of dehydration is accompanied with the weakening of interpeptide hydrogen bonds. Influences of bound water on the length and order of interchain hydrogen bonding was also examined. It was shown that the incorporation of water molecules into the triple helix depends on the amino acid composition and residue sequence. Synthetic models and native collagens were compared.
Preparation, phase stability and structure of the C36 Laves phase Nb1–xCo2+x

Abstract The C36 Laves phase Nb1–xCo2+x has been re-investigated in order to study phase stability and structure. Constitutional data have been obtained by investigating homogenized single- and two-phase samples and from diffusion couples. The C36 phase Nb1–xCo2+x crystallizes with hexagonal MgNi2 structure type (Z = 8, space group P63/mmc, a = 4.7414(4) Å and c = 15.458(1) Å at x = 0.265(4)). The homogeneity range extends from 24.6(2) to 25.3(5) at% Nb. The temperature range of the phase field is limited by a eutectoid (C36 Nb1–xCo2+x = Nb2Co7 + C15 NbCo2) and a peritectic (L + C15 NbCo2 = C36 Nb1–xCo2+x) reaction at ∼ 1050 °C and 1264 °C, respectively. In addition, the title phase is involved in the peritectoid reaction Co(Nb) + C36 Nb1–xCo2+x = Nb2Co7 at 1086 °C and in the eutectic reaction L = Co(Nb) + C36 Nb1–xCo2+x at 1239 °C. The C36 and C15 Laves phases of the Nb—Co system are separated by an extremely small two-phase field (<0.5 at%). The crystal structure exhibits pronounced deviations from ideal parameters obtained from a hard sphere model. The Co network displays a type of distortion known from many hexagonal Laves phases. Kagom, layers display an elongation of the Co—Co edges of the basal triangles of Co5 trigonal bipyramids and a contraction of Co—Co edges of the uncapped triangles. The Nb atoms are also displaced from their idealized sites. In the crystal structure of C36 Nb1–xCo2+x excess Co atoms randomly substitute Nb atoms — (Nb1–xCox)Co2. The excess Co atoms occupy preferentially the Nb2 site approximately twice as much as Nb1. These positions differ mainly in the conformation of the corresponding Nb6Nb2 fragments (Nb1—Nb1 eclipsed and Nb2–Nb2 staggered). In addition, Co atoms are displaced from the original Nb positions. The distortion of the Co and the Nb network is a consequence of the bonding situation of the defect-free crystal structure. The preferential site occupation of excess Co atoms is triggered by interactions with atoms beyond the first coordination shell. The C36 phase Nb1–xCo2+x exhibits Pauli-paramagnetic behavior (χP = +1.31 · 10–3 emu mol–1). The temperature dependent part of the electrical resistivity ρ(300 K) – ρ0 is only 17 μΩ cm whereas the residual resistivity is very large with ρ0 = 140 μΩ cm indicating strong structural disorder.
Thermodynamics of Na-based liquid binary alloys

The thermodynamic properties like internal energy (E), entropy (S), Helmhöltz free energy (F), heat of mixing (ΔE), entropy of mixing (ΔS) and volume of mixing (ΔΩ) of Na-based liquid binary alloys are computed using our own model potential. We have also attempted to investigate the effect of various forms of exchange and correlation functions, namely, Hartree (H), Taylor (T) and Sarkar et al. (SS) on the thermodynamic properties of the aforementioned alloys. It is found that the thermodynamic properties of Na-based liquid binary alloys are sensitive to the forms of the model potential and the local field correction function used in the computation. Thus, the proper choice of the model potential along with the local field correction function play an important role in investigating the thermodynamic properties of Na-based liquid binary alloys. This confirms the applicability of our model potential in explaining the thermodynamics of Na-based liquid binary alloys.