Miracle-dz/UniFAR-FTUs huggingface dataset:
Preliminary consideration to avoid eruptive flow boiling in microchannels

With boiling flows in very smooth heated channels, in general, the bulk liquid is superheated before the bubble formation takes place at the wall surface. Thus the eruptive boiling occurs once the superheat requirement for nucleation is satisfied, and this can be a source of flow instability. In the present work, a preliminary consideration has been given to predict the limiting heat flux for stable boiling in microchannels. The minimum heat-flux value to avoid this eruptive boiling is inversely proportional to the square of the channel diameter, and becomes enormously large as the channel diameter decreases. The stable heat-flux limit also depends on the cavity size in the channel wall. A map showing stable nucleation criteria was given and discussions were made on the simplifying assumptions made for the analysis. © 2003 ASME
Microdroplet evaporation in closed digital microfluidic biochips

In this paper, microdroplet evaporation in the closed digital microfluidic systems is studied for hydrophobic and hydrophilic surfaces. The contact angle and contact radius are measured by an enhanced automated polynomial fitting approach. It is observed that the contact angle for both hydrophobic and hydrophilic surfaces remains constant during the evaporation process. However, a higher evaporation rate is observed for hydrophilic droplets compared to the hydrophobic droplets. Since no contact line pinning is observed, first, an analytical model based on the uniform vapor mass flux along the liquid–vapor interface is proposed. Interestingly, it is observed that in the hydrophobic case, the analytical model gives a higher evaporation rate, whereas for the hydrophilic case, the analytical model gives a lower evaporation rate. The discrepancy between the results of the analytical modeling and the experimental values is hypothesized to be due the constant flux assumption. To verify the hypothesis, a finite volume-based numerical model is developed to find the local flux along the liquid–vapor interface. The numerical modeling results confirm that for hydrophilic droplets, the evaporation flux increases very close to the three-phase contact line. In the case of the hydrophobic droplets, on the other hand, the flux decreases close to the contact line due to vapor saturation; as a result the uniform flux assumption overestimates the mass loss.
Nitric Oxide Emissions From Stratified Charge Engines: Prediction and Control

Abstract A model is developed for calculating NO emissions for stratified charge engines in which the fuel is completely vaporized prior to combustion. The validity of the model is limited to single chamber geometry as it does not treat bulk gas motion typical of prechamber or divided chamber designs. The parameters of the model are fuel type, humidity of inlet air, overall equivalence ratio, stratification function, per cent EGR, intake manifold pressure, intake manifold temperature, compression ratio, piston connecting rod to crank radius ratio, RPM, and position and duration of combustion in the cycle. Stratification in which the first elements to burn are rich and the last elements to burn are lean is most effective relative to a uniform air-fuel mixture at overall air-fuel ratios near stoichiometric. Under these conditions almost all elements in the uniform charge are being “replaced” by elements of lesser NO-producing air-fuel ratios. On the overall rich side smaller reductions in NO level are possi.
Pharmacokinetics and distribution of dietary tributyltin and methylmercury in the snow crab (Chionoecetes opilio)

The pharmacokinetics and distribution of a single 5-μg dietary dose of radiolabeled [113Sn]tributyltin (TBT) and [203Hg]methylmercury (MeHg) were studied over 154 days in the snow crab, using in vivo gamma counting and whole-body autoradiography. Experiment was done under conditions typical of those encountered in the cold natural habitat of this crustacean. Retention efficiency was high for both compounds (80−100%), and two kinetic pools could be distinguished. Elimination of the first pool proceeded within 20−80 days, but it accounted for 27−62% of the assimilated TBT, compared to 8−11% for MeHg. Biological half-life of the second pool was 33−187 days for TBT and 520−650 days for MeHg. Autoradiographic and dissection data revealed a less homogeneous distribution of the radiolabel and much higher radioactivity in gut lumen for TBT compared to MeHg. This suggests that the larger size of the first pool in the case of TBT resulted from metabolization in the hepatopancreas and fecal elimination of the metabo.
Crystal structure of 2,6-diaminopyridinum bis(2,6-pyridinedicarboxylato) chromium(III) 2,6-pyridinedicarboxylic acid hemihydrate, C26H18CrN6O12 · 0.5H2O

C26H2oCrN6012.50, monoclinic, P\2\lc\ (No. 14), a = 15.233(4) A,b = 25.208(6) Ä, c = 14.685(3) Ä, β = 103.893(5)°, V = 5474.0 Ä, Z = 8, Rgl(F) = 0.057, wRM(F) = Q. \5\,T = 110 K. Source of material The title compound was synthesized by the reaction between ligand LH2, [H2pyda][pydc]~, (pyda = 2,6-pyridinediamine and H2pydc = 2,6-pyridinedicarboxylic acid) that is a new se l f -assembl ing sys tem [1], and chromium(I I I ) chlor ide hexahydrate in water. The resulting violet solution was left to slow concentration at room temperature. After five days, dark red block shaped crystals were isolated.
Optimisation of steam pretreatment of SO2-impregnated mixed softwoods for ethanol production

Pretreatment of mixed softwoods with SO2 impregnation and steam for production of ethanol has been investigated. The optimal conditions, both for sugar yield and ethanol yield, to assess the effect of inhibitors formed in the pretreatment, have been determined. The parameters investigated were: SO2 concentration (1-6% (w/w) dry matter), temperature (190-230 degrees C) and residence time (2-15 min). After pretreatment, the material was separated into a solid residue and a filtrate. The solid residue was enzymatically hydrolysed with 2% dry matter (w/w). To investigate fermentability, the hydrolysed filtrate was fermented using Saccharomyces cerevisiae. The effects of the different parameters are described by response-surface modelling. The highest experimental sugar yield of 42.1 g per 100 g dry matter was obtained at 210 degrees C and 5.5 min residence time. Although the fermentabilities were good for all filtrates with yields greater than 90% of the yield obtained in a pure glucose reference solution, the pretreatment has a clear influence on the ethanol production rate. (C) 1998 SCI. (Less)
Comparison of N2O and CH4 fluxes from Pannonian natural ecosystems

Static chamber measurements of nitrous oxide (N2O) and methane (CH4) fluxes were made from five characteristic vegetation types, representing three different natural ecosystems (grasslands, deciduous forest and wetlands) in the Pannonian basin, Hungary. The main objective of the study was to determine the drivers of average seasonal, annual and interannual N2O and CH4 fluxes in these different ecosystems to enable more accurate predictions of responses to future climatic conditions. Investigations into the response of net N2O and CH4 emission rates to soil temperature and soil water content were carried out over a 2‐year period. Both N2O and CH4 fluxes covered a wide range. Yearly average N2O emissions ranged from 4.38 mg N m−2 year−1 for wetland poplar forest to 242 mg N m−2 year−1 for mountain oak forest. Yearly average soil fluxes of CH4 varied from oxidation, −106 mg CH4 m−2 year−1, for loess grassland to an emission of 129 mg CH4 m−2 year−1 for a wetland Glyceria stand. Multiple regression analyses showed that N2O fluxes from the Pannonian grasslands and oak forest were more dependent than CH4 fluxes on the key soil variables water content and temperature. The largest seasonal mean N2O emission, 319 mg N m−2 year−1, from a mountain oak forest, was observed in summer, and the largest seasonal mean CH4 emission, equivalent to an annual rate of 423 mg CH4 m−2 year−1, from a wetland Glyceria stand, was found in the spring of the wet year.
Fermentation studies on wet herbage

Two experiments are described in which the fermentation changes in ensiled wet herbage were studied. In the first experiment Lolium italicum, containing 19.6% of soluble carbohydrate, was used in four silos. Water was added in two silos during filling to reduce the dry matter content from 21.5%; to 17.0%. Although all four silages were well preserved the gaseous losses occurring in the ‚wet silages’ were almost three times those obtained from the drier materials. The addition in one treatment of a small amount of soil (0.1%) during filling did not affect adversely the fermentation changes. In the second experiment, Dactylis glomerata containing 6.2% of soluble carbohydrate was ensiled with and without the addition of water. In this experiment 2% molasses was added to two silos as an additional treatment. The resultant silages were not well preserved although the addition of molasses and water produced a silage of lower pH value than when water alone was added.
Detailed Kinetic Modelling of Toluene Combustion

A detailed chemical kinetic mechanism for the combustion of toluene has been assembled and evaluated for a wide range of combustion regimes. The latter include counterflow diffusion flames, plug flow reactors, shock tubes and premixed flames. The reaction mechanism features 743 elementary reactions and 141 species and represents an attempt to develop a chemical kinetic mechanism applicable to intermediate and high temperature oxidation. Toluene thermal decomposition and radical attack reactions leading to oxygenated species are given particular attention. The benzyl radical sub-mechanism is expanded to include izomerization and thermal decomposition reactions, which are important at flame temperatures, and a molecular oxygen attack path to form the benzylperoxy radical, which is found to be relevant at lower temperatures, The final toluene kinetic model results in excellent fuel consumption profiles in both flames and plug flow reactors and sensible predictions of the temporal evolution of the hydrogen ra.
DFT Molecular Dynamics Study of Pyrene Biradical Species

Abstract The pyrene molecule shows its aromaticity localized in specific regions in the molecular framework as it is indicated by the calculated Nuclear Independent Chemical Shift (NICS) values, on previous electronic structure studies (García-Cruz et al. (2004) J. Phys. Chem. A 108, 5111 and Hernández-Trujillo et al. (2005) Chem. Phys. 308, 181), which is in full agreement with Clar's theory. The biradical formed at 400 K follows a simple mechanism, which yields an aromatic species as it is demonstrated by the NICS value. The analysis for testing the homolytic fragmentation and the unusual stabilization are also investigated. A possible implication of the reactivity of pyrene species in asphaltene formation is discussed.
Direct Determination of Fluid Phase Equilibria by Simulation in the Gibbs Ensemble: A Review

Abstract This paper provides an extensive review of the literature on the Gibbs ensemble Monte Carlo method for direct determination of phase coexistence in fluids. The Gibbs ensemble technique is based on performing a simulation in two distinct regions in a way that ensures that the conditions of phase coexistence are satisfied in a statistical sense. Contrary to most other available techniques for this purpose, such as thermodynamic integration, grand canonical Monte Carlo or Widom test particle insertions, the Gibbs ensemble technique involves only a single simulation per coexistence point. A significant body of literature now exists on the method, its theoretical foundations, and proposed modifications for efficient determination of equilibria involving dense fluids and complex intermolecular potentials. Some practical aspects of Gibbs ensemble simulation are also discussed in this review. Applications of the technique to date range from studies of simple model potentials (for example Lennard–Jones, s.
Effect of temperature on the electrical properties of ITO in a TiO2/ITO film

Thermal stabilities of indium tin oxide (ITO) substrates and TiO2/ITO structures were evaluated in relation to their electrical properties. The ITO substrates and TiO2/ITO structures were annealed at 350, 400, and 500 °C. The ITO substrate with large grain size showed higher thermal stability than that with small grain size. The thermal stability of TiO2/ITO structure improved with increasing TiO2 thickness, and a decrease in electron concentration was observed in resistance‐increased samples. These changes were attributed to variations in grain‐boundary potential caused by oxygen adsorption. It may be concluded that variation of the grain‐boundary potential by thermal annealing has a dominant influence on resistance. Therefore, optimization of the grain size is important to improve the thermal stability of ITO. This mechanism and procedure can be applied to improve the characteristics of other TCO materials.
INFLUENCE OF THE AMINE NATURE ON THE COMPOSITION OF PALLADIUM COMPLEXES IN SOLVENT EXTRACTION SYSTEMS

ABSTRACT The extraction of palladium chloro complexes by di-n-octylamine and diamines of various structure as function of the composition of the aqueous and organic phases has been studied. The compositions of the extracted species are indicated and the mechanisms of their distribution are described. It was shown that from 1 to 3 M HC1 solutions. complexes such as (R2NH2)2PdCl4 solvated by molecules of dioctvlamine chloride are extracted. With increasing the initial concentrations of palladium or decreasing acidity of the aqueous phase, a direct coordination takes place, first of one and then two molecules of amine to atom of palladium with the formation of extracted compounds such as HC1 solutions by salts of amines, diamines and QAB ionic associates such as (AmH)2PdCl4, (AmH)2)PdCl4 and (R4N)2PdCl4, respectively, are recovered into the organic phase. In systems containing trioctylamine, tetraoctylalkylenediamines (n = 4, 6) and QAB. ionic associates containing the dimeric complex anion, Pd2Cl6 2-, are a.
Fluctuations, conformational asymmetry and block copolymer phase behaviour

Phase behaviour near the order–disorder transition (ODT) of 58 model hydrocarbon diblock copolymers, representing four different systems, is summarized. Six distinct ordered-state microstructures are reported, including hexagonally modulated lamellae (HML), hexagonally perforated layers (HPL) and a bicontinuous cubic morphology with Iatext-decoration:overline3d space group symmetry. Two non-classical parameters, Iµ and text-decoration:overlineN, control the occurrence and distribution of these phases, in addition to the classical variables ƒ and χN, where ƒ, χ and N are the composition, segment–segment interaction parameter and degree of polymerization, respectively. Iµ accounts for differences in the conformational and volume-filling characteristics of each block. Conformational asymmetry, Iµ≠ 1, produces an asymmetric phase diagram around ƒ= 1/2. The importance of fluctuation effects are inversely related to the magnitude of text-decoration:overlineN, a type of Ginzburg parameter that is proportional to N. As text-decoration:overlineN decreases, the bicontinuous Iatext-decoration:overline3d phase appears adjacent to the ODT. Development of this cubic phase can be rationalized based on chain-packing frustration near the lamellar hexagonal state. Apparently the Iatext-decoration:overline3d cubic state is stabilized by fluctuations since it disappears when text-decoration:overlineN becomes large. These findings provide new insights into the origins of phase complexity in condensed soft matter.
NUMERICAL TESTS OF A MEASUREMENT METHOD FOR TURBULENT BURNING VELOCITY IN STAGNATION FLAMES

Numerical simulations of premixed turbulent stagnation flames have been performed using four combustion models, the Zimont model and typical flamelet models without or with a submodel of countergradient pressure-driven transport, in order to test a new method for measuring turbulent burning velocity, U t , in stagnation flames. Numerical results, obtained with combustion models that are able to yield a self-similar and universal mean structure of developing premixed turbulent flames, quantitatively support the method tested. It is also shown that the Zimont combustion model, which does not directly address the phenomenon of countergradient transport, and a flamelet closure of the mean rate of product creation, supplemented with a submodel of the countergradient transport, yield qualitatively similar trends (an increase in the displacement speed, S d , by the strain rate, Σ, provided by the mean flow; a weak effect of Σ on U t ; the universality of the progress variable profiles), whereas results computed using the same flamelet closure but without any submodel of the countergradient transport show the opposite trends (a decrease in S d when Σ increases; a substantial effect of Σ, on U t ; less pronounced self-similarity).
Sulfate‐reducing bacteria

Abstract The corrosion of sewers and the control of odor are the major operational and maintenance problems in wastewater collection systems. The generation of hydrogen sulfide and subsequent sulfuric acid results from microbially mediated reactions, by sulfate‐reducing bacteria (SBR) and sulfide‐oxidizing bacteria. This review covers pertinent information about sulfate reduction‐induced problems in general and SBR in particular. Metabolism with respect to carbon, energy, and sulfur sources, ecology, growth factors (dissolved oxygen, temperature, pH, and sulfide), and the competitive effects of methane‐producing bacteria on SBR are discussed. Because metals react with sulfide to form metal sulfide precipitates with extremely low solubilities, metal interactions in sulfate reduction environments are discussed.
Microwave Synthesis of the CPM‐5 Metal Organic Framework

The metal organic framework CPM-5 (crystalline porous materials) was successfully synthesized and characterized for the first time using microwave irradiation as a rapid and facile synthesis method in about 10 min compared to several days crystallization time required for the conventional solvothermal approaches. Furthermore, CPM-5 produced by microwave-assisted synthesis exhibited a very high surface area of 2187 m2g–1 compared to, e.g., 580 m2g–1 of the conventionally synthesized samples. Moreover, the as-synthesized CPM-5 showed high carbon dioxide uptake.
Monolithic silica columns for HPLC, micro-HPLC, and CEC

Two types of monolithic silica columns derivatized to form an ODS phase, one prepared in a fused silica capillary (SR-FS) and the other prepared in a mold and clad with an engineering plastic (poly-ether-ether-ketone) (SR-PEEK), were evaluated. The column efficiency and pressure drop were compared with those of a column packed with 5-μm ODS-silica particles and of an ODS-silica monolith prepared in a mold and wrapped with PTFE tubing (SR-PTFE). SR-FS gave a lower pressure drop than a column packed with 5-μm particles by a factor of 20, and a plate height of 20 μm at a linear velocity below 1 mm/s. SR-PEEK showed higher flow-resistance than the other monolithic silica columns, but they still showed a minimum plate height of 8-10 μm and a lower pressure drop than popular commercial columns packed with 5-μm particles. The evaluation of SR-FS columns in a CEC mode showed much higher efficiency than in a pressure-driven mode.
Entanglement contour from subset entanglement entropies

Entanglement contour characterizes the spatial structure of entanglement and quantifies the contribution from the degrees of freedom in any subset of the region $\mathcal{A}$ to the total entanglement entropy $S_{\mathcal{A}}$. Recently in \cite{Wen:2018whg} the author gave a simple proposal for the entanglement contour (or partial entanglement entropy) in two-dimensional theories, which involves the entanglement entropies of all the subsets inside $\mathcal{A}$. In this paper we explicitly study this proposal and show it satisfies many rational requirements for entanglement contour. Together with the holographic picture constructed with the modular planes \cite{Wen:2018whg}, we propose the correspondence between bulk geodesic chords and boundary partial entanglement entropies, which can be considered as a finer version of the Ryu-Takayanagi (RT) formula. As an example we calculate the fine correspondence between the points on $\mathcal{A}$ and the points on the RT surface $\mathcal{E}_{\mathcal{A}}$ for the BTZ black hole. We also give a strategy to extract the local modular flow from our proposal.
Low-Pressure Superheated Steam Drying—Vacuum Drying of a Porous Media and the Inversion Temperature

This article deals with comparative study of low-pressure superheated steam drying (LPSSD) and vacuum drying using coal particles as model material. The focus is made on the inversion temperature, which means that the drying rate in the two drying processes becomes equal. This temperature is of great importance because it allows the choice of drying agent for given operating conditions. The effect of external and internal parameters on the drying kinetics and the inversion temperature were investigated. Several studies have shown discrepancies of inversion temperature values basing on the constant rate period (CRP) and the falling rate period (FRP). This work points out gaps in these temperature values using the two calculation methods.
Quantitative analysis of cytokinins by electrospray tandem mass spectrometry

A methodology was developed for the analysis of cytokinins from plant tissue using electrospray tandem mass spectrometry in combination with HPLC. A detection limit of 1 pmol zeatin-riboside injected on-column was achieved under multiple reaction monitoring conditions. Linearity was observed within a concentration range of 1–100 pmol injected on-column. In view of the analysis of a considerable amount of samples, the chromatographic conditions were selected which were a compromise between speed of analysis and resolution. This approach, in combination with multiple reaction monitoring, allowed the analysis of up to 150 samples a day, and quantitation of 16 different cytokinins per sample.
Time-Efficient Acid-Catalyzed Synthesis of Resorcinol−Formaldehyde Aerogels

Resorcinol (R)−formaldehyde (F) aerogels are pursued as precursors of carbon aerogels, which are electrically conducting. They are usually prepared via a week-long base-catalyzed gelation process from an aqueous sol. For this work, we reasoned that because both the reaction of R with F and the condensation of the resulting hydroxymethyl resorcinol with R are electrophilic aromatic substitutions, they should proceed easily by acid catalysis in one pot. Thereby, we have developed and reported an HCl-catalyzed gelation process in CH3CN, which is completed in about 2 h at room temperature or in 10 min at 80 °C. The final aerogels are chemically indistinguishable (by IR and 13C CPMAS NMR) from typical base-catalyzed samples. In analogy to phenol−formaldehyde resin formation, the mechanism may involve o-quinone methide intermediates (hence the red color prevailing throughout the process). The effect of aging is discussed in terms of shrinkage and is attributed to further reaction and incorporation of more forma.