Miracle-dz/UniFAR-FTUs huggingface dataset:
Reaction Zone Structure and Scalar Dissipation Rates in Turbulent Diffusion Flames

Images of mixture fraction, temperature, scalar dissipation rates and OH concentrations in turbulent diffusion flames of methane-air and hydrogen-carbon dioxide are presented. The images are derived from Rayleigh scattering, fuel Raman scattering and OH-LIF. The images reveal that the reaction zones in these flames are strongly affected by the turbulence within them and that they become broadly distributed as the velocity is increased. The reaction zone width, as estimated from the measured OH profiles, is found to increase with the increase in jet Reynolds number of the flames. Local turbulence affects the OH profiles and causes a variation in the OH concentrations with little apparent variation in the corresponding mixture fraction and temperature images. This is seen in flames which are far from blow off and is not thought to be a local extinction effect but the direct influence of turbulence in the reaction zone. High scalar dissipation rates are not measured in the reaction zone where unburnt samples.
High‐pressure synthesis and structure of the new niobium phosphide Nb2P5

Nb2P 5 was prepared by reaction of the elements at 3-5 GPa and 1273 K using a cubic-anvil-type apparatus. The crystal is orthorhombic, Pnma, with a = 16.742 (3), b = 3.3499 (6), c = 7.912 (1) A, Z = 4, and D x = 5.10 Mg m -a. The structure was refined to R = 0.037 for 1198 independent reflections. The structure of Nb2P 5 is closely related to the OsGe2-type structure. Zigzag P~ chains are additionally inserted along the b axis between the Os2Ge 4 rhombic prisms of the OsGe2-type structure. Nb2P s is a metallic conductor and shows Pauli paramagnetism.
Synthesis and Photovoltaic Properties of Poly(p-phenylenevinylene) Derivatives Modified by Thiophene Derivatives

Two novel conjugated polymers (P1 and P2), consisting of 2,5-dioctyloxy-1,4- phenylenevinylene and terthiophene derivative based on 3,4-ethylenedioxythiophene, named TTh-Oxa, with oxadiazole side chains, have been synthesized via the Witting–Horner reaction. Another poly(p-phenylene vinylene) (PPV) derivative P3 was also prepared for comparison. The introduction of TTh-Oxa unit in polymer benefits to widening and red shifting the absorption spectra of PPV derivatives. Photovoltaic cells were fabricated with the as-synthesized polymers as the donors and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) as the acceptor in a 1:4 weight ratio. The device based on P1 showed a maximum power conversion efficiency of 0.64 % under simulated AM 1.5 G solar irradiation (100 mW/cm2).
Comprehensive theory of the Fourier transform ion cyclotron resonance signal for all ion trap geometries

An analytic solution for the charge induced on each of the detection electrodes of a Fourier transform ion cyclotron resonance (FT/ICR) ion trap has been derived from basic electrostatics for both tetragonal and cylindrical traps of arbitrary aspect ratio, by use of a Green’s function formalism. Dunbar has shown that the result of that calculation is in general equivalent to that obtained from prior ‘‘reciprocity’’‐based methods (see text). A primary advantage of the present treatment is its variety of functional forms arising from the various forms of the Green’s function, some of which may converge much more rapidly in numerical evaluation. (Moreover, because the Green’s function is the potential field of a unit point charge, the Green’s function must be employed in any treatment of ion–ion repulsions.)The present results (a) exactly confirm prior analyses of the cubic and tetragonal traps; (b) provide the first complete analysis of the cylindrical trap; and (c) may be extended to any trap geometry for .
Calorimetric data for naturally occurring magnesiocarpholite and ferrocarpholite

Abstract Low- and high-temperature heat capacities of natural ferrocarpholite and magnesiocarpholite samples from the island of Crete (Greece) were measured using the heat-capacity option of the Physical Properties Measurement System (PPMS, Quantum Design), which is based on the principles of heat-pulse calorimetry (HPC), and by differential scanning calorimetry (DSC). Comprehensive chemical analyses also have been performed on these samples by electron-microprobe analysis (EMPA), inductively coupled plasma mass spectrometry (ICP-MS), and Karl-Fischer titration (KFT) for H1O. In addition, the ferrocarpholite sample has been investigated by Mössbauer spectroscopy (MS). The measured heat capacities were corrected to end-member compositions of ferrocarpholite and magnesiocarpholite. The standard entropy of end-member ferrocarpholite Fe2+Al2[Si2O6](OH)4 and end-member magnesiocarpholite MgAl2[Si2O6](OH)4 were determined as 248.1 ± 0.3 J/(mol·K) and 221.5 ± 0.2 J/(mol·K), respectively. The CP-polynomial for end-member ferrocarpholite is CP = 652.05 - 6.0995 ×103 T-0.5 - 2.0980 × 106 T-2 + 2.9396 × 108 T-3 [J/(mol·K)], valid in the temperature range of 298.15-625 K, and that for end-member magnesiocarpholite is CP = 644.08 - 6.0921 × 103 T-0.5 - 2.2825 × 106T-2 + 3.3182 × 108T-3 [J/(mol·K)], valid in the temperature range of 298.15-725 K.
Control of Electron and Hole Concentrations in Semiconducting Silicide BaSi2 with Impurities Grown by Molecular Beam Epitaxy

Highly a-axis-oriented n- and p-type BaSi2 films were grown on Si(111) substrates by molecular beam epitaxy using Sb and In doping atoms, respectively. The hole concentration of In-doped BaSi2 was controlled in the range between 1016 and 1017 cm-3 at room temperature by changing the temperature of the In Knudsen cell crucible. In contrast, the electron concentration of Sb-doped BaSi2 was controlled in the range between 1016 and 1020 cm-3 by the substrate temperature. The electron and hole mobilities decreased with increasing electron and hole density, respectively.
Mass diffusivity of food products

Abstract Moisture diffusivity (Dm) and drying constants (k) of food products, raw and processed, are reviewed. These mass transfer properties were classified into various commodity groups such as fruits and vegetables, cereal products, meat products, gels, etc. These properties were also reviewed for the foods during frying process. Limited data on Dm are available in literature, with a large variation of the reported values, due to the complexity of the foods and various methods of determinations used. These methods to determine Dm and k are also discussed in brief. The data on the activation energy of diffusion (? H) process are also reviewed for various food products. Many of these properties are summarized in various tables for easy reference. Various mathematical models used to describe these properties are also given when available.
Boundary condition and initial value effects in the reaction-diffusion model of interface trap generation/recovery ∗

A simple standard reaction–diffusion (RD) model assumes an infinite oxide thickness and a zero initial interface trap density, which is not the case in real MOS devices. In this paper, we numerically solve the RD model by taking into account the finite oxide thickness and an initial trap density. The results show that trap generation/passivation as a function of stress/recovery time is strongly affected by the condition of the gate-oxide/poly-Si boundary. When an absorbent boundary is considered, the RD model is more consistent with the measured interface-trap data from CMOS devices under bias temperature stress. The results also show that non-negligible initial traps should affect the power index n when a power law of the trap generation with the stress time, tn, is observed in the diffusion limited region of the RD model.
ELECTRONIC NOSE CHEMICAL SENSOR FEASIBILITY STUDY FOR THE DIFFERENTIATION OF APPLE CULTIVARS

The ability to analytically differentiate and match intact apple (Malus domestica, Borkh) fruit and fruit juice extracts from different apple cultivars is of interest to the food industry. This study tested the feasibility of detecting the difference among volatile gases evolved from intact ‘McIntosh (Buhr),’ ‘Delicious,’ and ‘Gala’ apples and their extracted juice using a prototype 32-array polymeric detector chemical sensor. All data were first processed to obtain principal components. PCA analysis clearly separated whole ‘McIntosh,’ ‘Gala,’ and ‘Delicious’ samples from juiced on day 1. PCA analysis of day 2 samples showed clustering of whole vs. juiced for all three cultivars, although there was some overlap between the clusters. A soft independent modeling of class analogy (SIMCA) class discrimination of the sensor principal component data sets was then performed to determine the degree of difference. SIMCA analysis of the same samples showed a pronounced difference (SIMCA value >3.00) for only the ‘McIntosh’ samples. SIMCA values between 2.00 and 3.00 were found for the other two cultivars on day 1. For day 2 samples, no SIMCA values greater than 2.00 were found for any cultivar whole vs. juiced. PCA analysis showed clear separation between cultivars for day 1 whole samples. SIMCA analysis showed that there was a difference between ‘Delicious’ and ‘McIntosh’ and between ‘Delicious’ and ‘Gala. ’ Neither PCA nor SIMCA showed good separation between day 2 whole cultivars, nor between juiced cultivars on either day. As a reference, the same sample headspace volatile gases were analyzed with a mass spectrometer. A hierarchical cluster analysis (HCA) of the principal components from the mass spectrometer data sets revealed five clusters that discriminated differences among intact apple and apple juice samples but did not discriminate between samples from different apple cultivars.
Identification of Si and SiH in catalytic chemical vapor deposition of SiH4 by laser induced fluorescence spectroscopy

Radical species produced in catalytic chemical vapor deposition (CVD), often called hot-wire CVD, processes were identified by using a laser induced fluorescence technique. Ground state Si atoms could be detected at low pressures where collisional processes in the gas phase could be ignored. The electronic temperature of Si atoms just after the formation on the catalyzer (tungsten) surfaces was 1320±490 K, when the catalyzer temperature was 2300 K. By the addition of 0.5 Pa of Ar, the electronic temperature was lowered down to 450±30 K. The absolute density of Si atoms was 3±1×109 cm−3 at 10 cm below the catalyzer when the flow rate and the pressure of SiH4 were 0.5 sccm and 4 mPa, respectively. This density is just 0.3% of that of the parent SiH4 molecules. However, since the decay rate of Si atoms is fast, it can be concluded that atomic silicon is one of the major products on the heated catalyzer surfaces. SiH radicals could also be detected, but the production rate of this species is two orders of magnitude less than that of Si atoms. It was also discovered that volatile SiH4 molecules are produced by the atomic hydrogen attack on the amorphous silicon deposited on the chamber walls.Radical species produced in catalytic chemical vapor deposition (CVD), often called hot-wire CVD, processes were identified by using a laser induced fluorescence technique. Ground state Si atoms could be detected at low pressures where collisional processes in the gas phase could be ignored. The electronic temperature of Si atoms just after the formation on the catalyzer (tungsten) surfaces was 1320±490 K, when the catalyzer temperature was 2300 K. By the addition of 0.5 Pa of Ar, the electronic temperature was lowered down to 450±30 K. The absolute density of Si atoms was 3±1×109 cm−3 at 10 cm below the catalyzer when the flow rate and the pressure of SiH4 were 0.5 sccm and 4 mPa, respectively. This density is just 0.3% of that of the parent SiH4 molecules. However, since the decay rate of Si atoms is fast, it can be concluded that atomic silicon is one of the major products on the heated catalyzer surfaces. SiH radicals could also be detected, but the production rate of this species is two orders of mag.
Effect of membrane preparation conditions on solute permeability in chitosan membrane

Chitosan membrane was prepared in various conditions and diffusive permeabilities of theophylline and vitamin B12 were investigated. The membrane preparation procedure consists of dissolving chitosan in acid solution, cast on the glass plate, drying the dope solution, and immersion of the plate in the gelating agent. Effects of the kinds of acids to dissolve chitosan, chitosan concentration, drying time of the dope solution, and the kinds of the gelating agent on the membrane structure and performance were studied in detail. With increasing the chitosan concentration, the solute permeability decreased, while the selectivity of theophylline to vitamin B12 increased. The membrane changed from the wholly porous structure to the asymmetric structure by the increase of the chitosan concentration. Furthermore, the use of ethanol as the gelating agent brought about the wholly porous structure with the high permeability and the low selectivity. The asymmetric structure and the wholly dense structure were obtained in the cases of the gelating agents, such as aqueous NaOH solution and dimethyl sulfoxide (DMSO), respectively. Thus, the membrane structure can be controlled by the kinds of gelating agent. © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 73: 2715–2725, 1999
A NEW CLASS OF MIXED AZA-THIOETHER CROWN CONTAINING A 1,10-PHENANTHROLINE SUB-UNIT

The new aza–thioether crowns [15]ane(phen N2)S3 and [19]ane(phen N2)S4 have been synthesised. Their complexation with nickel(II) salts afforded a range of octahedral complexes. The single crystal structures of [Ni{[15]ane(phen N2)S3}(NCMe)][BF4]2, [NiCl{[15]ane(phen N2)S3}]BF4·dmf (dmf = dimethylformamide) and [NiI{[15]ane(phen N2)S3}][I3] have been determined and confirm N2S3 donation of the aza–thioether crown in a folded conformation to NiII with the sixth co-ordination site taken up by MeCN, Cl– and I– respectively. The complex [Ni2Cl2{[19]ane(phen N2)S4}2][BF4]2·3MeNO2 shows a dichlorobridged binuclear structure with the aza–thioether crown bound via only two S- and two N-donors, with two thioether S-donors unbound. A dichloro-bridged binuclear structure was found also for [Ni2Cl2{[12]ane(py N)S3}2][BF4]2·1.5MeNO2. The redox properties of [Ni{[15]ane(phen N2)S3}(NCMe)][BF4]2 in MeCN have been examined.
Multiloop Version of the Modified Ziegler−Nichols Method for Two Input Two Output Processes

In this paper, a multiloop version of the modified Ziegler−Nichols method1 is proposed for two input two output (TITO) processes. The key idea is to regard each loop together with its corresponding interactions from all other loops as an equivalent single input, single output (SISO) plant and design for it a SISO controller by shifting a given point on the Nyquist curve of the equivalent SISO plant to a desired position. This is, however, a nonlinear problem because the equivalent plants depend on unknown controllers. A novel approach is thus presented to obtain the controller parameters which achieve the above design objective. Unlike many other methods that emphasize the suppression of interactions, our method is developed to channel the effect of interactions to individual loops to increase the speed of loop responses. Simulation examples are provided to show the effectiveness of the proposed method and comparisons are made with the biggest log modulus tuning (BLT) method.
Fabrication and characterization of ZnO nanowires grown on Ti substrate

Zinc oxide (ZnO) with a wide band gap of 3.37 eV, and a large exciton binding energy of 60 mV at room temperature, is one of the most important n-type semiconductor, that has potential applications in the area of short-wavelength optoelectronic devices, gas sensors, solar cells, and field emitters. Some advanced nanodevices based on one-dimensional (1-D) ZnO nanomaterials have been successfully demonstrated in the past few years. The types of substrate have a great influence on the properties of ZnO nanostrctural devices. Semiconductor substrates such as Si and Al2O3 were widely used for the collection or epitaxial growth of ZnO nanostructures, for metal substrate, Fe and Cu foil has also been used as substrate, there are few reports on ZnO nanowires grown on Ti foil, Ti is an important electrode metal that ohmic contact can be appropriately achieved, which is critical for semiconductor device application. Besides, both Ti and ZnO show good biocompatibility, it is expected that ZnO nanowires/ Ti show good performance on bio-sensors. In this paper, 1-D ZnO nanostructures have been successfully fabricated on the conductive Ti substrate via a vapor phase transport (VPT) method by carbothermal reduction of ZnO and graphite powder mixture in a tube furnace at 850°C. The final products were characterized by means of field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), high-solution transmission electron microscope (HRTEM) (equipped with selected area electron diffraction, SAED), and photoluminescence (PL) spectroscopy. FE SEM results show that dense, ultra-long (>10μm), and locally aligned ZnO nanowire arrays were grown on the Ti foil. The diameter of nanowires exhibits a wide range from 150 nm to about 500nm. Structural characterizations (XRD, SAED, HRTEM) indicate the as synthesized nanostructures have a ZnO wurtzite structure and are perfect single crystalline without any defects or impurities. The growth direction is [0001]. Optical property (PL spectrum) shows strong UV emission is detected in our sample.
Excimer emission from microhollow cathode argon discharges

Microhollow cathode discharges (MHCDs) operated in rare gases are sources of intense excimer emission. Of particular interest is argon, because of its relatively low cost and the short wavelength (128 nm) of its excimer emission. The measured internal efficiency, obtained in static argon at atmospheric pressure, was found to be on the order of 1%. Flowing argon through a direct current (DC) MHCD at atmospheric pressure caused the argon excimer internal efficiency to increase to 6%, indicating that the low efficiency in static argon is mainly due to impurities. Applying 10 ns pulses to the DC plasma resulted in an increase in excimer power from 30 mW DC to 180 mW peak power, at an efficiency of 5–6%. The increase in excimer power correlates with an increase in the electron density. For DC operation, electron densities of 1015 cm−3 were measured in atmospheric pressure argon micro-plasmas, which increased to values beyond 1016 cm−3 for nanosecond pulsed operation. This increase in electron density and excimer power is due to pulsed electron heating, an effect that has allowed us to raise the mean electron energy from 1 eV, for DC operation, to 2.25 eV in the pulsed mode.
A new design of a vibrating-tube densimeter and partial molar volumes of phenol(aq) at temperatures from 298 K to 573 K

A new flow vibrating-tube densimeter with a photoelectric pick-up system and a new concept of an electromagnetic drive system is described. The apparatus is designed for measurements in the temperature and pressure ranges from 298 K to 573 K and up to 35 MPa, respectively. The density data for dilute aqueous solutions of phenol obtained in the temperature range from 298.15 K to 573.15 K and partial molar volumes of phenol calculated from measured data are presented.
Synthesis of TOPO-capped Mn-doped ZnS and CdS quantum dots

TOPO (tri-n-octylphosphine oxide) capped Mn-doped ZnS and Mn-doped CdS nanoparticles have been prepared from bis(diethyldithiocarbamato)zinc(II) or bis(methylhexyldithiocarbamato)cadmium(II) and manganese dichloride. The nanoparticles obtained all show quantum size effects in their optical spectra with respect to the parent CdS and ZnS. There are clear differences in the photoluminescence of the ZnS (448 nm) and ZnS∶Mn (510 nm) samples. The level of Mn-doping can be differentiated by the photoluminescence intensity, all of the doped samples show an emission maximum at 510 nm. EPR spectra and ICP results confirm the quantitative incorporation of manganese into the ZnS quantum dots. Selected area electron diffraction (SAED), X-ray diffraction (XRD) and transmission electron microscopy (TEM) show the material to be hexagonal. The crystallinity of the material was also evident from high resolution transmission electron microscopy (HRTEM) which gave well-defined images of particles with clear lattice fringes. The PL spectrum of the doped CdS nanoparticles has an emission maximum at 585 nm as is usually attributed to the 4T1–6A1 electronic transition of manganese in a tetrahedral site. However the PL spectrum changes over time (weeks) to give a spectrum typical of the deep trap emission of CdS. SAED and XRD show both CdS and the Mn-doped CdS particles to be in the hexagonal phase. TEM and high resolution TEM show images of nanosize particles with clear lattice fringes. EPR spectra and ICP results confirm the presence of manganese in the CdS nanoparticles. EPR spectra showed that CdS∶Mn was not stable over longer periods of time with segregation of manganese at the surface of particles in older samples of CdS. By contrast, the ZnS∶Mn samples were quite stable for several weeks.
Conformation of a Single Polyacrylamide Molecule Adsorbed onto a Mica Surface Studied with Atomic Force Microscopy

We have studied the adsorption of a single polyacrylamide chain onto a freshly cleaved mica surface from a good solvent by force spectroscopy using a custom-built force prober. The polymer chain was covalently attached to the AFM tip at one end. The polymer loop lengths were deduced by measuring the distance between desorption events during the retraction of the tip from the surface. The loop length distribution obtained was found to obey a power law characteristic for the semidilute regime. We claim that this is due to the confinement of the polymer chain between the tip and the surface during the adsorption.
Chemotherapeutical Agents, V. Syntheses and Activities of Novel Pyrimidines Derived from 5-Cyano-6-aryl-2-thiouracil

The 5-cyano-6-aryl-2-thiouracils 1a–d were prepared1,2) for the syntheses of several other pyrimidine derivatives. In basic medium 1a reacted with picryl chloride yielding the unexpected benzothiazolo-pyrimidine 2. Heating a mixture of 1 and 1,2-dibromoethane in DMF in basic medium gave the thiazolopyrimidines 3a, d, while the reaction of 1 with 1,3-dibromopropane and 1,3-dibromo-2-propanol under similar conditions yielded the pyrimido-thiazine 3b, c, e. Alkylation of 1 with alkyl halides in alkaline medium in 1:2 and 1:1 ratios gave the di- and monoalkyl derivatives 4 and 5, respectively. With hydrazine hydrate, 4a yielded the 2-hydrazinopyrimidine 6 which cyclized to give the triazolo-pyrimidine 7 on refluxing in formic acid. Similar reaction conditions were maintained for attempts to cyclize 6 with acetic and propionic acid, but always the acylhydrazino derivatives 8a, b were isolated. Reaction of 6 with methyl 2-cyano-3,3-bis(methylthio)acrylate or with acetylacetone yielded the pyrazolo-pyrimidines 9 and 10, respectively. All products were screened for their potential fungicidal, bactericidal, and antiviral activities since several related compounds were shown to possess antimicrobial activities in a primary screening.