Miracle-dz/UniFAR-FTUs huggingface dataset:
Water sorption characteristics of poly(2‐hydroxyethyl acrylate)/silica nanocomposite hydrogels

Water sorption in hydrogels based on nanocomposites of poly(2-hydroxyethyl acrylate) (PHEA) and silica, prepared by simultaneous polymerization and sol-gel process, were studied gravimetrically over wide ranges of silica content, both below and above the percolation threshold of about 15% wt for the formation of a continuous inorganic network interpenetrated with the organic network. Measurements were performed at room temperature from the vapor phase, both at equilibrium and dynamic, for selected values of water activity αw between 0 and 0.95, and from the liquid phase. In the nanocomposite hydrogels, the overall water uptake from the vapor phase is practically the same as in pure PHEA below the percolation threshold, whereas it is reduced above the percolation threshold, in particular at high αw values where swelling becomes significant. Water clustering sets in at around 14 vol % (10 wt %) of water independently of composition, whereas the mean value of water molecules in a cluster decreases at high silica contents. In immersion experiments water uptake decreases as silica content increases to the percolation threshold of about 15 wt % and is then almost independent of composition. A scheme is proposed, which explains these results in terms of the existence of micelles, where a number of hydrophilic hydroxy groups are linked together, and their disentaglement by immersion into water. Diffusion coefficients of water depend on water content and are reduced on addition of silica above the percolation threshold. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
Configurations of macromolecular chains confined to strips or tubes

Theoretical and Monte Carlo studies have been carried out on self‐avoiding random walks confined to relatively narrow strips or tubes. Such walks are used to simulate the behavior of macromolecular chains subject to corresponding external boundary constraints. It is proved that, if a chain is confined to a strip or tube of a width small compared to the contour length of the chain, the mean square end‐to‐end separation of the chain is asymptotically proportional to n2, where n is the number of links in the chain. In addition, Monte Carlo results are reported for strips of three and eight layers and for thin tubes with four and five connected channels. The results so obtained are consistent with the theory. It is conjectured that chains confined to a thin surface, not necessarily monomolecular, will behave as if the chains were limited to a plane, but with parameters different from those for the strictly two‐dimensional problem.
Trickle‐bed reactors

The term trickle bed is used here to mean a reactor in which a liquid phase and a gas phase flow concurrently downward through a fixed bed of catalyst particles while reaction takes place. The earliest antecedent probably was the so-called “trickling filter” which has long been used for removal of organic matter from wastewater streams by aerobic bacterial action. Biological growths are allowed to attach themselves to a bed of stone or other support over which the wastewater is allowed to trickle in contact with air. Another antecedent appeared in the 1930s when Duftschmid and co-workers at the I.G. Farbenindustrie used evaporative cooling of an inert oil which flowed upwards through a catalyst bed to remove the heat of reaction in a version of the FischerTropsch process for synthesis of liquid fuels from H2 and CO and a later version at the U.S. Bureau of Mines operated with concurrent upflow but without evaporative cooling. This was superceded by an ebulliating bed reactor because of difficulties with cementation of the catalyst in the fixed bed, but commercial scale operations of this process in Germany and elsewhere have all utilized completely vapor-phase reaction (Storch et al., 1951; Crowell et al., 1950; Benson et al., 1954; Kastens et al., 1952). Trickle-bed reactors have been used to a moderate extent in chemical processing, but most of the published information about their industrial applications concerns the processing with hydrogen of various petroleum fractions, in particular the hydrodesulfurization or hydrocracking of heavy or residual oil stocks and the hydrofinishing or hydrotreating of lubricating oils. Their commercial development during the 1950s by the Shell Companies and by the British Petroleum Company has been described by van Deemter (1964), Le Nobel and Choufoer ( 1959), and Lister (1964). The development of hydrocracking and hydrodesulfurization processes by Chevron, Esso (Exxon), Gulf, Union Oil, and others has been described in the proceedings of the various World Petroleum Congresses. Information is fragmentary on uses in chemical processing. A process for synthesis of butynediol (HOCH2C = CCH20H) from aqueous formaldehyde and acetylene uses trickle-bed flow over a copper acetylide catalyst and recycle of the product stream for heat removal (Brusie et al., 1963). Other trickle-bed studies of this reaction are given in a thesis by W. Bill, as reported by Bondi (1971), who also cites trickle-bed studies by H. Hofmann on the hydrogenation of glucose to sorbitol. Kronig (1963) describes a trickle-bed process used in one or more commercial plants for selective hydrogenation of acetylene to remove it in the presence of butadiene in Cq hydrocarbon streams. Operation at 10” to 20°C and 1.9 to 5.8 atm pressure allows liquid-phase processing which reportedly gives long catalyst life, unlike gas-phase processing in which polymers rapidly build up on the catalyst. The standard commercial process for manufacture of hydrogen peroxide utilizes a working solution of an alkyl
Analytical Criteria for Validity of Pseudohomogeneous Models of Packed-Bed Catalytic Reactors

Pseudohomogeneous models are used extensively to simulate the behavior of packed-bed catalytic reactors. The use of highly active catalysts increases the importance of the transport resistances between the solid and the fluid, and hence, may invalidate the applicability of the pseudohomogeneous models. There exist criteria in the literature that predict when pseudohomogeneous models can be used to approximate the behavior of catalytic reactors. These criteria are derived by assuming that the predictions of pseudohomogeneous and the two-phase models differ only by a small amount and hence Taylor expansions can be used to quantify the difference between the two models. In this work, we show that the existing literature criteria may lead to erroneous conclusions and present new criteria that may be used to determine the regions of validity of pseudohomogeneous models. For example, when Lep = h/ρfCpfkc ≥ 1, we show that, for a single exothermic first-order reaction, the pseudohomogeneous model has the same qu.
Handbook of Fluorescence Spectra of Aromatic Molecules.

The PL spectra of PA-EIP and PY-EIP in film state were 440 nm and 468nm in the B. I. Berlman, in Handbook of Fluorescence Spectra of Aromatic Molecules. The fluorescence properties of more than 20 aromatic hydrocarbons in aqueous I. B. Berlman, Handbook of Fluorescence Spectra of Aromatic Molecules. Handbook of fluorescence spectra of aromatic molecules 2nd ed. If you have had several of these symptoms for at least Exercise Yoga Contre Constipation.
Lycopene content differs among red‐fleshed watermelon cultivars

Lycopene, a carotenoid, has antioxidant properties that may reduce the incidence of certain cancers. Watermelon (Citrullus lanatus (Thunb) Matsum & Nakai) is a natural source of lycopene, with a reported average content of 48.7 µg g−1 fresh weight based on samples taken from retail produce. This study demonstrated the variability of lycopene content in 11 red-fleshed watermelon cultivars grown at one location, representing seedless, open-pollinated and hybrid types, and in commercially shipped hybrid and seedless melons, representing seasonal production periods. Tristimulus colorimeter a* and chroma values were positively correlated with lycopene values, but linear or quadratic regressions of colorimeter data against lycopene values were not significant. Tristimulus colorimeter readings from cut melons were compared to amounts of lycopene extracted from the same melons. Lycopene content varied widely among cultivars, with four cultivars having mean values greater than 65.0 µg g−1 fresh weight. Seedless types sampled tended to have higher amounts of lycopene (>50.0 µg g−1 fresh weight) than seeded types. Watermelon lycopene content changed for some cultivars with production season. Published in 2001 for SCI by John Wiley & Sons, Ltd
EXPERIMENTAL INVESTIGATION ON ADSORPTION OF AMIDO BLACK 10B DYE ONTO ZEOLITE SYNTHESIZED FROM FLY ASH

ABSTRACT This work presents experimental studies on adsorptive removal of Amido black 10B dye using a low-cost zeolite synthesized from fly ash to study the effect of various parameters, namely pH, temperature, agitation speed, adsorption time, zeolite loading, and dye concentration, on dye removal efficiency. Dye removal efficiency increased with increase in adsorbent dosage, adsorption time, and stirrer speed, and the optimal values of zeolite dose, adsorption time, and stirrer speed were found to be 10 g/L, 6 h, and 300 rpm respectively. On the other hand, dye removal efficiency decreased with increase in the initial dye concentration as well as temperature, indicating that the adsorption process is exothermic and is effective at low concentrations of adsorbate. Maximum dye removal was obtained at low pH values (between 2 and 5), indicating the fact that the zeolite surface is positively charged. Experimental data matched well with the pseudo-first-order kinetic model and the Freundlich equilibrium isotherm. The most important observation in this work is that zeolite synthesized from fly ash could act as a very effective adsorbent for the removal of amido black dye from its aqueous solutions.
Etching of SiC Using Inductively Coupled Plasma

Single-crystal SiC etching in an inductively coupled plasma (ICP) chamber using a gas mixture of O 2 /CF 4 has been investigated for the first time. The dependence of etch rate on ICP power, substrate dc bias, and oxygen percentage was studied. It is found that etch rate increases with ICP power and substrate dc bias, and an etch rate exceeding 200 nm/min can be obtained at 100 V substrate dc bias. The etch rate is as high as 20 nm/min, even when there is no substrate bias. Clean and smooth surfaces can be obtained readily. Trenches with different depths were etched and their profiles were examined by scanning electron microscopy.
Effect of organoclay on the morphology and properties of poly(propylene)/poly[(butylene succinate)-co-adipate] blends

The effect of organically modified clay on the morphology and properties of poly(propylene) (PP) and poly[(butylene succinate)-co-adipate] (PBSA) blends is studied. Virgin and organoclay modified blends were prepared by melt-mixing of PP, PBSA and organoclay in a batch-mixer at 190 °C. Scanning electron microscopy studies revealed a significant change in morphology of PP/PBSA blend in the presence of organoclay. The state of dispersion of silicate layers in the blend matrix was characterized by X-ray diffraction and transmission electron microscopic observations. Dynamic mechanical analysis showed substantial improvement in flexural storage modulus of organoclay-modified blends with respect to the neat polymer matrices or unmodified blends. Tensile properties of virgin blends also improved in the presence of organoclay. Thermal stability of virgin blends in air atmosphere dramatically improved after modification with organoclay. The effect of organoclay on the melt-state liner viscoelastic properties of virgin blends was also studied. The non-isothermal crystallization behavior of homopolymers, virgin, and organoclay-modified blends were studied by differential scanning calorimeter. The effect of incorporation of organoclay on the cold crystallization behavior of PP/PBSA blends is also reported.
HYBRID EQUILIBRIUM IN N-PERSON GAMES

How can we combine altruism of Berge equilibrium with selﬁshness of Nash equilibrium? The positive answer to this question will be given below. In short, they can be combined but in the class of mixed strategies. For a noncooperative N -player normal form game, we introduce the concept of hybrid equilibrium (HE) by synthesizing the concepts of Nash and Berge equilibria and Pareto maximum. Some properties of this equilibrium are explored and its existence in mixed strategies is established under standard assumptions of mathematical game theory (convex and compact strategy sets and continuous payoﬀ functions).
Crystal structure of 2,2'-diaminodiphenyl sulfide, C12H12N2S

C12H12N2S, monoclinic, P121/c1 (no. 14), a = 9.945(5) Å, b = 7.063(3) Å, c = 17.770(6) Å, 0 = 118.18(2)°, V = 1100.3 Å, Z = 4, Rgt(F) = 0.053, wRref(F) = 0.124, T = 298 K. Source of material The title compound was prepared according to the following method: 1-Iodo-2-nitro-benzene (0.1 mol), 2-aminobenzenethiol ( 0.1 mol) and dry N,N-dimethyl formamide (50 ml) were added to a three-necked round-bottom flask and the mixture was stirred and reflux for 5 hours. then cooled to room temperature, add 50 ml water to the mixture. The precipitate was filtered with suction, then the intermediat product was poured into 50 ml of 10 % aqueous hydrochloric acid with 3 g Fe powder and reflux 2 hours. The mixture was cooled to room temperature, extracted with chloroform washed with water, dried over anhydrous Na2SO4 under reduced pressure. The product was purified by crystallization from a mixture of benzene/n-hexane. Single crystal suitable for X-ray data collection were obtained on slow evaporation from an ethyl acetate/toluene (1/5) solution (m.p. 358 360 K). Experimental details All H atom were initially located in a difference Fourier map and were placed in geometrically idealised position and constrained to ride on their parent atom with d(C—H) = 0.93 Å and d(N—H) distances in the range 0.83 0.85 Å and Uiso(H) = 1.2Ueq(C) or fixed at 0.059 for H12 and H atoms on N. Discussion The title compound is a usefull organic intermediate [1,2], it can be oxided to sulfoxides or sulfones and the two amino groups improves its applications. It can be also used as photo-curable agent. Bond lengths and angles in the crystal structure of the title compound are not unusual and compare well with those observed in other analogues [3-6]. The two C—S bonds are almost equal, with an average value of 1.772(2) Å. The average bond length for the two C—N bonds is 1.382(3) Å, The amino group is tilted by 16.7 (3)° with respect to the plane of the benzene ring. Intermolecular N−H···N bonds are found in the crystal structure. These orient the two benzene rings essentially normal to each other. Z. Kristallogr. NCS 223 (2008) 507-508 / DOI 10.1524/ncrs.2008. 0223 507 © by Oldenbourg Wissenschaftsverlag, München Crystal: colorless block, size 0.16 × 0.37 × 0.42 mm Wavelength: Mo K2 radiation (0.71073 Å) ': 2.61 cm−1 Diffractometer, scan mode: Bruker APEX CCD, +/3 2#max: 50.02° N(hkl)measured, N(hkl)unique: 5499, 1948 Criterion for Iobs, N(hkl)gt: Iobs > 2 "(Iobs), 1863 N(param)refined: 148 Programs: SHELXS-97 [7], SHELXL-97 [8], SHELXTL [9] Table 1. Data collection and handling. H(3) 4e 0.2716 1.0098 0.4416 0.071 H(4) 4e 0.3534 0.7247 0.4163 0.074 H(5) 4e 0.3575 0.4592 0.4932 0.064 H(6) 4e 0.2708 0.4800 0.5927 0.054 H(9) 4e 0.4532 0.3224 0.8585 0.069 H(10) 4e 0.2582 0.1115 0.8195 0.076 H(11) 4e 0.0184 0.1769 0.7092 0.073 H(12) 4e −0.0230 0.4611 0.6378 0.059 H(1A) 4e 0.134(3) 1.103(4) 0.579(1) 0.059 H(1B) 4e 0.156(3) 1.175(3) 0.512(1) 0.059 H(2A) 4e 0.538(2) 0.624(3) 0.834(1) 0.059 H(2B) 4e 0.443(3) 0.747(3) 0.766(1) 0.059 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso
TD-DFT investigation of electronic structures, photophysical properties and the theoretical design of OLEDs based on phosphorescent Ir(III) complexes bearing the non-π electron-conjugated carbene ligand

In the search for efficient phosphorescent materials, a rational design is presented for the iridium complex material (dfbmb)Ir(fptz)2 (2) (dfbmb = 1-(2,4-difluorobenzyl)-3-methylbenzimidazolium), which involves the use of two 2-pyridyl triazolate (fptz) chromophores and a non-π electron-conjugated high-field ligand dfbmb assembled by a saturated σ-bond methylene group, and a comparison with the benchmark (dfbmb)2Ir(fptz) (1). In this work the electronic structures, absorption and phosphorescence spectra were investigated using the TD-DFT method. In order to obtain the mechanism of high phosphorescence yield in (1) and estimate the radiative rate constant k r for (2), the radiative rate constant k r, the spin-orbital coupling (SOC) matrix element, ΔE(S − T), and the square of the SOC matrix element (⟨ψS1|HSO|ψT1⟩2) for (1) and (2) were measured. It is concluded that the switch of the cyclometalated ligand from the main chelate to the ancillary chelate seems to enhance the splitting of ΔE(S − T) in the current system. Finally, using the information gained, a PhOLED utilizing (1) and (2) was designed.
Perfluorinated compounds in water and sediment from coastal regions of the northern Bohai Sea, China

Concentrations of perfluorooctanesulfonate (PFOS), perfluorooctanoic acid (PFOA) and other perfluorinated compounds (PFCs) were measured in water and sediment from coastal Bohai Bay and surrounding rivers flowing into the bay. Of the 15 PFCs measured, PFOS and PFOA were detected with the greatest frequency. Concentrations in water ranged from<0.2 to 31 ng·L−1 and<1.0 to 82 ng·L−1 for PFOS and PFOA, respectively. Concentrations of PFOS and PFOA in sediments ranged from<0.1 to 2.0 ng·g−1 dw and<0.1 to 0.5 ng·g−1 dw, respectively. Concentrations of PFCs in Bohai Bay were less than those observed in other areas in Asia, but greater concentrations of ∑PFCs were observed in the Dalin River with concentrations increasing from upstream to downstream, and the greatest concentrations in sediment were observed in tidal flats. The ratio of ∑PFCs in sediment and water indicated that sediment could serve as a significant sink for PFUnA.
Study of Intermittent Low-Pressure Superheated Steam and Vacuum Drying of a Heat-Sensitive Material

Low-pressure superheated steam drying (LPSSD) has recently been applied to drying of various heat-sensitive foods and bioproducts with success. Several studies have shown that the quality of LPSSD-dried products is superior to that obtained using conventional hot air or vacuum drying. However, drying time and energy consumption for LPSSD is generally greater than that for vacuum drying. Therefore, it is necessary to examine different methodologies to improve the energy efficiency of LPSSD. An intermittent drying scheme is one possible method to reduce the energy consumption of the process while maintaining the desired product quality. In this study, the effect of intermittent supply of energy (through an electric heater and steam injection to the dryer) and vacuum (through the use of a vacuum pump) at various intermittency values or on:off periods (10:5, 10:10 and 10:20 min in the case of intermittent supply of energy and 5:0, 5:5, and 5:10 min in the case of intermittent supply of vacuum) at the on-period setting temperatures of 70, 80, and 90°C on the drying kinetics and heat transfer behavior of the drying samples (banana chips) was studied. The effects of these intermittent drying schemes and conditions on the quality parameters of dried banana chips; i.e., color, shrinkage, texture, and ascorbic acid retention, were also studied. Finally, the energy consumption values for intermittent LPSSD and vacuum drying were monitored through the effective (or net) drying time at various intermittent drying conditions and compared with those using continuous LPSSD and vacuum drying.
Computer-assisted design of oil additives: hydrate and wax inhibitors

In this paper we present the results of a molecular simulation study of low dosage anti-freeze agents for two common problems that occur during oil and gas transport: gas hydrate crystallization and wax deposition. Direct molecular dynamics simulations are presented of the nucleation and growth of methane hydrate from a liquid water film, and of the suppression of this growth in the presence of a well-known kinetic inhibitor—polyvinylpyrrolidone. In the case of wax inhibition we present a simple model for predicting the activity of comb-like polymers, which is likely to be useful for identifying the most active inhibitor from within a given class. The method is applied to a set of random copolymers and shown to correlate well with experimental data.
Gamma irradiation of high density poly(ethylene)/ethylene‐vinyl acetate/clay nanocomposites: possible mechanism of the influence of clay on irradiated nanocomposites

A further study on mechanical properties and morphology evolution of high density poly (ethylene)/ethylene-vinyl acetate/and organically-modified montmorillonite (HDPE/EVA/OMT) nanocomposites exposed to gamma-rays (0–200 kGy) has been achieved. The results showed that nanocomposites have superior irradiation-resistant properties to HDPE/EVA blend in mechanical properties. A transmission electron microscope study verified that a face-face ordered nanostructure had been induced by gamma-rays. The aim of this paper is to provide a possible mechanism on how the OMT influences the general properties of irradiated nanocomposites, based on the results of thermal, flammability and mechanical behavior. Three facts are postulated to be responsible for the mechanism. The first is the segregation of nano-dispersed clay layers not only reduces polymer oxidation but prevents crosslinking reactions. The second is the nanostructure evolution induced by gamma-rays, which may impart nanocomposites improved elasticity. The last is due to the Hofmann degradation, whose degraded products have opposite roles, accelerating polymer oxidation or promoting crosslinking reactions. These facts interact as well as compete with others. The properties of the nanocomposites strongly depended on the prevalent effects developing with increasing irradiation doses. Copyright © 2005 John Wiley & Sons, Ltd.
Phytolith transport in soil: a laboratory study on intact soil cores

Column experiments on phytolith transport were conducted to assess the partial contributions of water percolation and earthworm activity to phytolith transport in loamy and sandy soils. Six intact cores of a loamy sandy Haplic Cambisol and nine cores of a silty loamy Stagnic Luvisol were excavated. With the Luvisol, three treatments were perfomed: a percolation treatment with periodic irrigation, but without earthworms, a percolation and earthworm treatment with periodic irrigation and earthworms (Aporrectodea caliginosa) and a control. The Cambisol cores did not contain earthworms and hence only percolation and control treatments were tested. The phytoliths of common reed (Phragmites australis) were labelled with the fluorescent dye fluorescein isothiocyanate and applied to the soil surface of each core. Except for the control treatment, 3600 mm of water was applied over 6 months. In the Cambisol, the weighted mean transport distance of phytoliths was significantly greater with percolation (2.2 ± 0.1 cm) than in the control (0.9 ± 0.3 cm), indicating that water percolation is a driving mechanism of phytolith transport. In the Luvisol, the difference in mean transport depth between control and percolation treatments (1.0 ± 0.2 and 1.5 ± 0.3 cm) was not significant. The earthworms did not affect the mean transport distance of phytoliths in the Luvisol, but the phytolith concentrations in the leachates were significantly greater and their size distribution did not change with soil depth as observed in the percolation treatment without earthworms. Further studies are required to quantify the effect of earthworms on phytolith transport.