Miracle-dz/UniFAR-FTUs huggingface dataset:
Integrated Operation of the INL HYTEST System and High-Temperature Steam Electrolysis for Synthetic Natural Gas Production

Abstract The primary feedstock for synthetic fuel production is syngas, a mixture of carbon monoxide (CO) and hydrogen. Current hydrogen production technologies rely upon fossil fuels and produce significant quantities of greenhouse gases as a by-product. This is not a sustainable means of satisfying future hydrogen demands given the current projections for conventional world oil production and future targets for carbon emissions. For the past 6 yr, the Idaho National Laboratory (INL) has been investigating the use of high-temperature steam electrolysis (HTSE) to produce the hydrogen feedstock required for synthetic fuel production. HTSE water-splitting technology, combined with non-carbon-emitting energy sources, can provide a sustainable, environmentally friendly means of large-scale hydrogen production. Additionally, laboratory facilities are being developed at the INL for testing hybrid energy systems composed of several tightly coupled chemical processes (HYTEST program). The first such test involved the coupling of HTSE, a CO2 separation membrane, the reverse-shift reaction, and the methanation reaction to demonstrate synthetic natural gas production from a feedstock of water and either CO or a simulated flue gas containing CO2. This paper will introduce the initial HTSE and HYTEST testing facilities, overall coupling of the technologies, testing results, and future plans.
Bioremediation of Crude Oil–Contaminated Soil By Immobilized Bacteria on an Agroindustrial Waste—Sunflower Seed Husks

ABSTRACT This study reports the immobilization and performance of a hydrocarbon-degrading Rhodococcus sp. strain (designated as QBTo) on sunflower seed husks (SH) for the bioremediation of soils polluted with crude oil. The SH performance as inoculants carrier was compared with peat, which is a vegetal material traditionally used in carrier-based inoculants production. The stability of the immobilized culture under storage conditions was assessed by viability at different times when stored at 25°C and 10°C. The catabolic activity of immobilized and free QTBo cells introduced into sandy loam soil, freshly contaminated with crude oil, was studied in microcosms. A higher number of viable QTBo cells were recovered from the inoculants formulated with SH (QTBo-SH) after prolonged storage at 10°C and 25°C. The microcosms amended with QTBo-SH inoculants showed a removal of about 66% of total petroleum hydrocarbons (TPH), whereas in those inoculated with QTBo-peat inoculants, the decrease was of about 47%. In the control microcosms (noninoculated) and liquid culture–amended soils, the TPH removal was about 28%. SH is a waste of edible oil industry, nontoxic, and biodegradable and has demonstrated to confer to the immobilized cultures greater potential to survive not only during storage but also in the soil environment, improving bioremediation process.
Porous P-doped graphitic carbon nitride nanosheets for synergistically enhanced visible-light photocatalytic H2 production

Novel porous P-doped graphitic carbon nitride (g-C3N4) nanosheets were for the first time fabricated by combining P doping and thermal exfoliation strategies. The as-prepared P-doped g-C3N4 nanosheets show a high visible-light photocatalytic H2-production activity of 1596 μmol h−1 g−1 and an apparent quantum efficiency of 3.56% at 420 nm, representing one of the most highly active metal-free g-C3N4 nanosheet photocatalysts. This outstanding photocatalytic performance originates from the P-doped conjugated system and novel macroporous nanosheet morphology. Particularly, the empty midgap states (−0.16 V vs. standard hydrogen electrode) created by P doping are for the first time found to greatly extend the light-responsive region up to 557 nm by density functional theory and experimental studies, whilst the novel macroporous structure promotes the mass-transfer process and enhances light harvesting. Our study not only demonstrates a facile, eco-friendly and scalable strategy to synthesize highly efficient porous g-C3N4 nanosheet photocatalysts, but also paves a new avenue for the rational design and synthesis of advanced photocatalysts by harnessing the strong synergistic effects through simultaneously tuning and optimizing the electronic, crystallographic, surface and textural structures.
Effect of Protease Produced from Bacillus polyfermenticus SCD on Quality of Jerky

The objective of this study was to examine the effects of crude protease from Bacillus polyfermenticus SCD and marination time on quality of pork and beef jerky. Neither pork nor beef jerky showed a significant difference in pH among all treatments, and each protease was found to have a greater effect on the color of beef jerky. The hardness was significantly lower in all jerky treated with each protease, however the textural properties of jerky were not significantly different with regard to marination times. Water content was not affected by protease addition or marination times, however the water activity was lower in jerky treated with protease. The rehydration capacity of pork jerky was higher in jerky treated with protease, whereas that of beef jerky was higher in jerky dried after tumbled and held for 24 hr. Sensory characteristics were higher in jerky treated with protease, not affected by holding time after marinated.
Laboratory methods of estimating potentially mineralizable nitrogen in organic potting mixes. II. Development of near infrared reflectance spectroscopy method

Near infrared reflectance spectroscopy (NIRS) was tested as a method of predicting potentially mineralizable N (PMN) in organic potting mixes. Initially, calibration models were developed using the near infrared spectra of 100 potting mix formulations and the amount of N recovered by ryegrass herbage after 168 d of growth in the formulations, focusing on which combination of a range of regression, derivatization and scatter correction techniques gave the best calibration model. In the second part of the study, a validation exercise was performed, where the 100 formulations were split into separate calibration and validation sets. In the initial calibration exercise, the most effective combination of regression technique and spectral pretreatments was modified partial least squares in conjunction with a second order derivative and a standard normal variate and detrend scatter correction technique, which had an R2 of 0.99. However, in the validation study the coefficient of determination was much lower (r2=0.73), and results were not in line with expectations. The explanation offered for the poor validation results relates to the constriction of the set of calibration samples. Nevertheless, NIRS appears to have great potential for predicting the performance of organic potting mixes, and despite several practical drawbacks is worthy of investigation by other workers.
Co-ordinated multi-wavelength observations of the RS CVn system CF Tuc.

The relatively bright eclipsing RS CVn binary CF Tuc was observed in both optical (photometry and spectroscopy) and microwave ranges in a 'multisite, multiwavelength' campaign in 1996. The microwave data, gathered using the Australia Telescope Compact Array,covered slightly more than one complete orbital cycle at 4.8 and 8.64 GHz in one continuous nm. There was also limited coverage at 1.38 and 2.38 GHz. High-dispersion spectroscopy was obtained using the McLellan 1-m telescope and echelle spectrograph at Mt John University Observatory (New Zealand). Supporting photometry came from smaller scale facilities associated with the Royal Astronomical Society of New Zealand (RASNZ), The data show the correlation between microwave signal enhancement and photometric flux diminution (maculation effect) noted previously in similar studies. The spectroscopy also points to the phenomena being related to a very enhanced active region on the secondary star located close to the maculation region. Cross-correlation of the microwave emission data between the 4.8- and 8.64-GHz ranges shows a strong positive correlation, with a significant lag of the 4.8-GHz behind the 8.64-GHz variations. This indicates energized waves propagating through the corona of the K4 subgiant at the electron sound speed. The emitting region may have been eclipsed bye primary star, but such eclipse effects are of marginal significance for the present analysis. An attempt is made to put all the evidence into one coherent picture of the active region.
Etching of silicon in NaOH solutions. I: In-situ STM investigation of n-Si(111)

The etching of n-type silicon (111) has been investigated by means of in situ scanning tunneling microscopy (STM) observations performed over a wide range of bias of the sample. A special procedure has been used to observe topography changes at potentials close and positive of the rest potential. Irrespective of the bias, images show that the surface consists in atomically smooth terraces separated by 3.1 A high steps. At cathodic bias, the etching occurs principally at terrace edges and (111) terraces are most probably H terminated, which prevents their reconstruction, as could be seen in atomically resolved pictures taken in situ. Triangular etch pits nucleate when the potential approaches the rest potential
Effects of rootstock and irrigation regime on hydraulic architecture of Vitis vinifera L. Cv. Tempranillo

Rootstock hydraulic properties are probably the keys to drought or waterlogging resistance. This work evaluates the effects of two rootstocks (110R, SO4) and two irrigation levels (ET0, 0,5 ·ET0) on the hydraulic architecture of Tempranillo. The experiment was carried out on potted plants near Barcelona (Spain). Hydraulic resistance in trunks was measured by low pressure method and using a High Pressure Flow Meter (HPFM). The trunks of Tempranillo grafted onto 110R showed a lower resistance than the ones grafted onto SO4. The grafting point showed a higher resistance than the cultivar segment and the rootstock segment. HPFM results were more consistent than low-pressure measurements.
Protein structure prediction and conformational transitions

There is a critical need for protein structure and function prediction. Accurate protein secondary structure prediction is essential for many bioinformatics applications, including protein tertiary structure prediction. We developed an algorithm (Fragment Data Mining, FDM) for protein secondary structure prediction using fragments of known structures obtained by multiple sequence alignment (MSA). Its performance is excellent where highscore MSA matches are available. By combing it with GOR V, a new Consensus Database Mining (CDM) method was developed, which surpasses the performances of both FDM and GOR V. For each residue, it chooses to use either the result of FDM or GOR V depending upon the availability of high-score matches of MSA. A server has been set up to make CDM publicly accessible. It becomes more popular due to the reliability and efficiency of its performance, the simplicity of its use, and its potential for improvement with the rapidly growing number of determined structrues. Phosphorylation is the most important post translational modifications for cellular regulation and signal transduction. Upon phosphorylation, proteins can undergo obvious conformational changes. It is challenging to characterize these changes because of the high flexibility of phosphorylation regions and the difficulties in obtaining diffraction quality crystals. In the current study, we focused on the conformational changes of CDK2 due to phosphorylation at Thr160. We use C-C-side chain (CABS) modeling, Targeted Molecular Dynamics (TMD) and conventional molecular dynamics (MD) to simulate the structural transition and create transition pathways. Principal component analysis (PCA) of the trajectories and normal mode analysis (NMA) with anisotropic network model (ANM – an
On the structure and chemistry of electrical trees in polyethylene

The structure and chemistry of two electrical trees (designated Tree A and Tree B) grown in low density polyethylene have been studied by a combination of confocal Raman microprobe spectroscopy, optical microscopy and scanning electron microscopy. Despite being grown under similar conditions (A, 30 °C and 13.5 kV; B, 20 °C and 13.5 kV), these two trees exhibit very different structures. Tree A exhibits a branched structure while Tree B is more bush-like. In Tree A, the very tips of the structure are made up of hollow tubules, which exhibit just the Raman signature of polyethylene. On moving towards the high voltage needle electrode, fluorescent decomposition products are first detected which, subsequently, are replaced by disordered graphitic carbon. From the relative intensity of the graphitic sp2 G and D Raman bands, the constituent graphitic domains are estimated to be ∼4 nm in size, which leads to a local tree channel resistance per unit length of 1–10 Ω µm−1. These structures are therefore sufficiently conducting to prevent local electrical discharge activity. In Tree B, the observed fluorescence increases continuously from the growth tips to the needle. Here, the tree channels are not sufficiently conducting to prevent electrical discharge activity within the body of the tree. These results are discussed in terms of mechanisms of tree growth and, in particular, the chemical processes involved.
Investigation of Dynamic Pull-in Instability in Clamped-Clamped Nanobeam-Based NEMS Devices under Intermolecular Surface Forces

Abstract In this current paper the Galerkin decomposition method is used to study the dynamic pull-in instability of clamped-clamped nanobeam-based N/MEMS switches under Casimir and van der Waals forces without electrostatic excitation. This model is nonlinear due to inherent nonlinearity of Casimir and van der Waals forces and geometrical nonlinearity such as midplane stretching of this elastic beam. First the R educed O rder M odel (ROM) for a clamped-clamped nanobeam-based N/MEMS switches under Casimir and van der Waals forces is derived in consideration of elastic nonlinearity of nanobeam. Then the effect of nonlinear parameter on pull-in instability is investigated by a numerical method such as Runge-Kutta techniques. It is observed that increasing in midplane stretching causes increase in Casimir or van der Waals force required for occurring pull-in phenomenon and there is a linear relationship between them in investigated range. Both increasing in midplane stretching and damping coefficient causes increase in pull-in time. But the effect of damping is more than midplane stretching effect. Not only increasing in midplane stretching causes increase in Casimir or van der Waals force required for pull-in, but also the growth of damping coefficient has the same effect on them, however there is not a linear relationship between them in this manner.
The ultimate properties of simple elastomers

Abstract The ultimate properties of polymers are very poorly understood. A large mass of practical data is available but at present there seem to be no molecular theories for its correlation or for use as a guide in obtaining new data. In the following pages a theoretical approach to the ultimate properties of simple crosslinked elastomers will be described. The treatment will be limited to the tensile strength and ultimate elongation at temperatures high enough so that crystallinity and the viscous work during extension are negligible. The theory can be extended to cover compressive or shear strength with relatively little effort. The incorporation of the effects of viscosity and crystallinity will require somewhat more work. (After the completion of the major part of this work I learned that Prof. F. Bueche, University of Wyoming, has developed a somewhat similar theory for the tensile strength of viscous elastomers.)
Hot electron relaxation time in GaN

The hot electron relaxation time is studied in an n-type GaN film grown by molecular beam epitaxy on sapphire. A femtosecond pump–probe technique is used in which the electrons are excited by an infrared pump and the carrier dynamics are monitored by a tunable near ultraviolet probe. Complex transients, showing bleaching or induced absorption, are observed. The data are fitted by a model in which the longitudinal optical (LO)-phonon emission is the dominant energy relaxation process. The LO-phonon emission time is measured to be 0.2 ps.
Experimental study on the fractionation of yttrium from holmium during the coprecipitation with calcium carbonates in seawater solutions

The partitioning of Y and Ho between CaCO3 (calcite and aragonite respectively) and seawater was experimentally investigated at 25 degrees C and I atm. Both Y and Ho were observed to be strongly partitioned into the overgrowths of calcite or aragonite. Their partition coefficients, D-Y and D-Ho, were determined to be similar to 520-1400 and similar to 700-1900 in calcite, similar to 1200-2400 and similar to 2400-4300 in aragonite, respectively. Y fractionates from Ho during the coprecipitation with either calcite or aragonite. Within our experimental conditions, the fractionation factor, k = D-Y/D-Ho, was determined to be similar to 0.62-0.77 in calcite and similar to 0.50-0.57 in aragonite, respectively. The aqueous complexation of Y and Ho, which is a function of solution chemistry, probably plays an important role in both the partitioning and the fractionation. Further analyses suggest that the difference in covalency between Y and Ho associated with changes in their coordination environments is the determinant factor to the Y-Ho fractionation in the H2CO3-CaCO3 System.
The effect of acidic groups on the swelling of pulps: a review

It is proposed that the acidic groups within the fiber wall increase the swelling of pulp in water as a result of the osmotic pressure generated by their counter-ions. These counter-ions are the trace metals normally found in pulps. Swelling is greater the lower the valency of the counter-ions (i.e., M + > M + + > M + + +) on account of the dependency of osmotic pressure on the number of ions. A decrease in pH below 7.0 causes a decrease in swelling due to the conversion of the acidic groups to their undissociated hydrogen forms. Further, by taking into account the distribution of ions between the interior of the fiber wall and the external solution, the decrease in swelling due to high ionic strength can be explained. The theory isillustrated by reference to mechanical, chemical, and chemically modified pulps. See also AATA 18-1175. -- AATA
Dispersion state and catalytic properties of vanadia species on the surface of V2O5/TiO2 catalysts

The dispersion state and catalytic properties of anatase-supported vanadia species are studied by means of X-ray diffraction (XRD), laser Raman spectroscopy (LRS), H2 temperature-programmed reduction (TPR) and the selective oxidation of o-xylene to phthalic anhydride. The almost identical values of the experimental dispersion capacity of V2O5 on anatase and the surface vacant sites available on the preferentially exposed (001) plane of anatase suggest that the highly dispersed vanadium cations are bonded to the vacant sites on the surface of anatase as derived by the incorporation model. When the loading amount of V2O5 is far below its dispersion capacity, the dispersed vanadia species might mainly consist of isolated VOx species bridging to the surface through V-O-Ti bonds. With the increase of V2O5 loading the isolated vanadia species interact with their nearest neighbors (either isolated or polymerized vanadia) through bridging V-O-V at the expenses of V-O-Ti bonds, resulting in the increase of the ratio of polymerized to isolated vanadia species and the decrease of the reactivity of the associated surface oxygen anions and, consequently, although the activity increases with loading to reach a maximum value, the turn over number (TON) of the V2O5/TiO2 catalyst decreases linearly. When the loading amount of V2O5 is higher than its dispersion capacity, the turn over number decreases more rapidly with the increase of V2O5 loading due to the formation of V2O5 crystallites in which the oxygen anions associated with V-O-V bonds are less reactive and only partially exposed on the surface.
Combustion Analysis of Esters of Soybean Oil in a Diesel Engine

The alkyl esters of plant oils and animal fats are receiving increasing attention as renewable fuels for diesel engines. These esters have come to be known as biodiesel. One objection to the use of the methyl and ethyl esters of soybean oil as a fuel in diesel engines is their high crystallization temperature. One solution to this problem is to use the isopropyl esters of soybean oil which have significantly lower crystallization temperatures. Another method to improve the cold flow properties of esters is to winterize them to subambient temperature. This is accomplished by cooling the esters and filtering out the components that crystallize most readily. Previous work has shown that when methyl, isopropyl and winterized ester blends were compared with No. 2 diesel fuel, the isopropyl and winterized methyl esters had at least the same emission reduction potential as the methyl esters, with similar engine performance. This paper discusses those results using heat release analysis that shows all of the blends have shorter ignition delays, and lower premixed burn fractions than No. 2 diesel fuel. All tested fuels except the isopropyl ester blends had similar combustion behavior. However, blends with isopropyl ester showed some abnormal combustion behavior, possibly duemore » to high levels of monoglycerides. « less
Theoretical characterization of charge transport in chromia (α-Cr2O3)

Transport of conduction electrons and holes through the lattice of α-Cr2O3 (chromia) is modeled as a valence alternation of chromium cations using ab initio electronic structure calculations and electron-transfer theory. In the context of the small polaron model, a cluster approach was used to compute quantities controlling the mobility of localized electrons and holes, i.e., the reorganization energy and the electronic coupling matrix element that enter Marcus’ theory. The calculation of the electronic coupling followed the generalized Mulliken-Hush approach using the complete active space self-consistent-field (CASSCF) method and the quasidiabatic method. Our findings indicate that hole mobility is more than three orders of magnitude larger than electron mobility in both (001) and [001] lattice directions. The difference arises mainly from the larger internal reorganization energy calculated for electron-transport relative to hole-transport processes while electronic couplings have similar magnitudes. T.