Miracle-dz/UniFAR-FTUs huggingface dataset:
Decomposition of Dioxins in Fly Ash with Supercritical Water Oxidation

In this study, we tried to decompose the dioxins in a fly ash using supercritical water and an oxidizer. The first objective is to compare the decomposition efficiency of the dioxins in the fly ash with that in the pulp mill sludge, because the distribution pattern of the dioxin isomers in the fly ash (called incineration pattern) is quite different from that in the pulp mill sludge (pulp bleaching pattern) (Hiraoka, 1993), that is, the former has many kinds of dioxin isomers and the latter contains relatively high concentrations of tetrachlorodibenzofuran and tetrachlorodibenso-p-dioxin. The second objective is to check the possibility of the decomposition of dioxins at around 673 K because a conventional stainless steel can be used as a construction material for the decomposition reactor in a very dilute aqueous region of hydrogen chloride. The third objective is to examine what kind of oxidizer is suitable for rapid and complete decomposition of the dioxins.
Systematic Measurement Methods for the Determination of the SPAD Values of Maize (Zea mays L.) Canopy and Potato (Solanum tuberosum L.)

Based on Soil Plant Analysis Development (SPAD) values, nitrogen (N) deficiency, nutrient need, and the effect of fertilizer treatments on crop conditions can be quickly estimated, but the method of SPAD measurement significantly affects the accuracy of estimation. In field experiments near Debrecen, Hungary, we measured the reliability and accuracy of SPAD measurements in maize and potato populations using a Minolta SPAD-502 meter (Minolta, Tokyo, Japan). The aim of our study was to determine which SPAD measurement methods are capable of detecting small differences in the SPAD values. During the examination of maize ear leaves, we determined the distribution of SPAD values along the leaf blade and then identified single- and multipoint measurement methods. By comparing the results of the measurement methods we established that the single-point-based measurements are less suitable for the determination of the average SPAD value of the leaf blade than the multipoint-based measurements. Also, we showed that the increase in the number of measurement points does not influence the accuracy of the measurement in the case of systematic measurement methods based on the distribution of SPAD values. Thus we recommend five-point measurements to obtain the average SPAD values of the ear leaves: the tip of the leaf blade and at one quarter and one half of the leaf blade from the base on both the right and left sides. From the measurements conducted in potato, we showed that the SPAD values change at every foliar level and that the measurements carried out on the middle foliar level provide the closest correlation with the average SPAD values of the leaf canopy. Based on these results, we recommend making measurements at different foliar levels or on the middle foliar level to determine the average SPAD value of the potato leaf canopy.
Poly(dimethylsiloxane) Microchip Electrophoresis with Contactless Conductivity Detection for Measurement of Chemical Warfare Agent Degradation Products

Abstract The applicability of a poly(dimethylsiloxane) (PDMS) microfluidic device with contactless conductivity detection for the determination of organophosphonate nerve agent degradation products is reported. Five alkyl methylphosphonic acids, isopropyl methylphosphonic acid (IMPA), pinacolyl methylphosphonic acid (PMPA), O‐ethyl‐N,N‐dimethyl phosphoramidate (EDPA), ethyl methylphosphonic acid (EMPA), and methylphosphonic acid (MPA), (degradation products of Sarin, Soman, Tuban and VX nerve agents) were analyzed by microchip capillary electrophoresis. Experimental conditions for the separation and detection processes have been optimized to yield well‐defined separation and high sensitivity. Under optimal conditions, analyses were completed in less than 2 min. Linear relations between concentration and peak heights were obtained with detection limits in the 1.3–4.5 mg/l range and precision values for the peak heights were in the range of 3.4–6.1% RSD. Applicability of this method for natural (lake and tap) water samples was also demonstrated. Compared to conventional analytical methods, this miniaturized system offers promise for on‐site monitoring of degradation products of chemical warfare agents, with advantages of cost effective construction, simple operation, portability, and minimum sample consumption.
A Dynamic Multi-Zone Partitioning Scheme for Solving Detailed Chemical Kinetics in Reactive Flow Computations

A dynamic multi-zone (DMZ) partitioning scheme is proposed for enhancing the computational efficiency associated with solving detailed chemistry in reactive flow calculations. The DMZ scheme employs a novel and highly flexible evolutionary data clustering algorithm to partition a group of computational cells into zones for solving the chemistry source terms at each hydrodynamic time step. The algorithm dynamically determines the optimal number of zones for each time step of the calculation based on the thermochemical conditions in the cells and user-specified dispersion thresholds. After solving the chemistry equations on zonal level, the DMZ scheme maps the updated solution back to the cells while preserving the initial parameter stratification. The DMZ scheme is implemented into a KIVA3V-CHEMKIN code and benchmarked against fully resolved (non-partitioned) calculations using direct-injection compression-ignition engine cases. The benchmarking results show that the DMZ scheme accurately reproduces the pressure and key species profiles obtained from the fully resolved calculations in simulations that range from homogeneous to highly stratified. Using a computational mesh containing 15,000 cells, the DMZ scheme achieved a 20- and 8-fold speedup for the moderately and severely stratified operating conditions, respectively. Based on the benchmark calculations, recommended values of the user-specified thresholds are proposed.
Solution Processible Sulfosuccinate Doped Polypyrrole: Preparation, Spectroscopic and Spectroelectrochemical Characterization

Oxidative polymerization of pyrrole in the presence of salts of two diesters of sulfosuccinic acid, namely sodium di(ethylhexyl)sulfosuccinate(abbreviated as NaDEHSS)or sodium dihexylsulfosuccinate(abbreviated as NaDHSS)have been investigated. It has been demonstrated that the processibility of the resulting polymer depends on the selection of an appropriate oxidant/dopant couple. If ammonium peroxydisulfate is used as the oxidizing agent the resulting polypyrrole combines solution processibility with spectroscopic and spectroelectrochemical properties of classical intractable doped polypyrrole. For these reasons polypyrrole doped with sulfosuccinate anions can be considered as a very promising material for the fabrication of polymer modified electrodes in various sensing devices or as a material for the fabrication of hole transporting layers in polymer photovolatic cells.
Ripening kinetics of CdSe/ZnSe core/shell nanocrystals

CdSe and CdSe/ZnSe core shell nanocrystals were prepared via the inverse micelle technology with TOP/TOPO/HDA surfactants, and their high crystallinity was confirmed by using X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) analyses. Ostwald ripening behavior of the nanocrystals was monitored by using the red-shift in UV−visible absorbance peaks, and their size variation was estimated by employing a quantum confinement effect equation. Lifshitz−Slyozov−Wagner (LSW) kinetics analyses were performed by using the size variation according to ripening temperature and time period. Arrhenius-type plots were created by using the slopes of the LSW curves for the CdSe and CdSe/ZnSe nanocrystals, respectively, and the activation energy values for the ripening were evaluated for the nanocrystals. At a low-temperature region, the CdSe and CdSe/ZnSe samples seem to show dissociation of Cd−Se and Zn−Se surface atomic bonds, respectively, while at a high-temperature region above 266 °C.
Growth of High‐Purity and Doped Alkaline Earth Oxides: I. MgO and CaO

A new variation of the carbon arc‐fusion technique is reported which makes possible the growth of large, high‐purity MgO and CaO single crystals which are free of microbubbles. A technique has also been developed for impurity doping. We have successfully doped MgO with Na, D, Ce, Eu, Gd, Dy, and Yb; and CaO with Li, Na, Ce, and Nd. The presence of these dopants has been ascertained by chemical analyses, optical, or EPR measurements. EPR signals showed minimal effects from strains in these crystals.
Sorption of Hg(II) from Aqueous Solutions onto Carica papaya: Application of Isotherms

The biosorption potential of Carica papaya for mercury from aqueous solutions was investigated. The biomass exhibited the highest mercury sorption capacity at optimum conditions of pH 6.5 and biomass dosage of 1.0 g/L. To predict the biosorption isotherms and to determine the characteristic parameters for process design, seven single and two parameter isotherm modelsHenry's law, Freundlich, Langmuir, Dubinin−Radushkevich, Temkin, Halsey, and Ginsix three-parameter equationsthe Redlich−Peterson, Sips, Khan, Radke−Prausnitz, Toth, and Koble-Corriganand four- and five-parameter isotherm equations of Fritz and Schluender isotherm models were applied to experimental data. Three error analysis methods were used to evaluate the experimental data, viz., correlation coefficient, standard error (SE), and sum of squares error (SSE) of the estimate, to find the best fitting isotherm. The best fitting isotherms were found to be Langmuir, Khan, and Fritz−Schluender among the two-, three-, and five-parameter models, res.
Effect of dopants on grain boundary decohesion of Ni: A first-principles study

First-principles density functional theory (DFT) calculations were used to determine decohesion properties of Σ5(012) grain boundary of Ni with dopants B, C, S, Cr, and Hf. The relative stability of sites was evaluated and cleavage energies were calculated. Electronic structure was used to understand these properties in terms of changes in bonding with addition of dopants. It was found that strengthening of the Ni grain boundary results from Hf, B, and Cr doping. In contrast, the grain boundary weakens with S and C doping. These results should be useful in the design of next-generation nanostructured Ni-based alloys with improved mechanical behavior.
Fluorescence Excitation Volume in Two-Photon Microscopy by Autocorrelation Spectroscopy and Photon Counting Histogram

We compare two methods for the measurement of the excitation volume of an optical inverted microscope for two-photon excited fluorescence spectroscopy. The measure of the decay time of the fluorescence autocorrelation function gives the particles' diffusion time in the excitation volume, and from an a priori knowledge of the diffusion coefficient we can estimate the excitation volume. On the other hand, we can count the average number of particles in the excitation volume by analyzing the histogram of the fluorescence photon counting, and from the knowledge of the fluorophores' concentration we obtain the excitation volume. We show that the measurements of the excitation volume based on the analysis of the correlation function are very close, for a wide range of excitation volumes (0.1 fL < VEXC < 6 fL), to those obtained with no a priori assumptions from the analysis of the photon counting histograms. Moreover, we suggest that the study of the relation between the average number of particles in the excitation volume and the nominal concentration can be a valuable tool in verifying the good alignment of the optical setup.
High strain rate properties of fatigued advanced high strength steel sheets

Before a possible crash, energy absorbing structural elements in cars are often subjected to an important number of loading cycles. It is known that the mechanical properties of the material used for these elements can be significantly influenced by an possible fatigue. Therefore, the influence of the fatigue on the impact-dynamic behaviour of three advanced high strength steel sheets is investigated. Next to static experiments, a series of split Hopkinson tensile bar experiments is performed on a dual phase steel (DP600 Z), a TRIP steel (TRIP700 Z) and an austenitic stainless steel (301LN 2B). During these experiments as-received and fatigued material is subjected to strain rates ranging from 250/s to 1200/s. The experiments clearly show that both the deformation properties and the yield stresses, and thus the energy absorbing potential, are strongly influenced by the fatigue. Due to the fatigue, the strength of all materials considered in this study increases considerably, however the material becomes significantly more brittle. The influence of is most pronounced for the austenitic steel.
Characterization of the biofield energy treated aluminium using PSA, PXRD, and TGA/DTG analytical techniques

Aluminium is the most abundant metal and third most abundant element in the Earth’s crust. This study was executed to determine the impact of the Trivedi Effect®-Consciousness Energy Healing Treatment on aluminium in terms of its physicochemical and thermal properties by using sophisticated analytical techniques. For the study, the test sample was divided into two parts and named as the control and treated sample. The control part was not given any treatment; while the treated part was given the Trivedi Effect®-Consciousness Energy Healing Treatment; named as Biofield Energy Treated sample and was done remotely by a renowned Biofield Energy Healer, Dahryn Trivedi. The particle sizes of the treated aluminium powder were significantly decreased at d10 (13.5%), d50 (12.07%), d90 (6.16%), and D(4, 3) {5.83%}, compared to the control sample. The specific surface area of the treated aluminium, as a result, was significantly increased by 16.67% than the control sample. The PXRD data revealed reduced peak intensities and crystallite sizes ranging from 5.10% to 10.73% and 5.89% to 23.13%, respectively, compared to the control sample. The average crystallite size of the treated aluminium was also decreased by 15.91% compared to the control sample. The onset temperature and maximum thermal degradation temperature (Tmax) of the treated sample were increased by 7.41% and 3.76%, respectively, compared to the control sample. Thus, the thermal stability of the treated sample was increased as compared to the control sample. Hence, the overall analysis indicated the impact of the Trivedi Effect®-Consciousness Energy Healing Treatment on the physicochemical and thermal properties of aluminium as there might be the formation of a new polymorph that may show better solubility, absorption, and bioavailability along with improved thermal stability. The Trivedi Effect®-Consciousness Energy Healing Treated aluminium could be used efficiently in biomedical applications such as nanotubes in cancer therapy, biosensing, cell imaging, and nanoparticle formation for anti-microbial and anti-cancer activities, etc.
Assessing soil erosion in Europe based on data collected through a European network

Abstract The European Commission Directorate-General for the Environment (DG Environment) and the European Environmental Agency (EEA) have identified soil organic matter conservation and mitigation of soil loss by erosion as priorities for the collection of policy-relevant soil data at the European scale. In order to support European Union (EU) soil management policies, soil quality indicators are required that can be applied using harmonized data for the EU Member States. In 2010, the European Soil Data Centre (ESDAC) of the European Commission conducted a project to collect data on soil erosion from national institutions in Europe, using the European Environment Information and Observation Network for soil (EIONET-SOIL). The aim of this paper is to present a selection of the results obtained for soil erosion from the participating countries. The data collected were compared with estimates of soil loss using the Pan-European Soil Erosion Risk Assessment (PESERA) model, and aggregated soil erosion data from pan-European experimental plot studies. The comparison focuses on eight countries for which complete soil erosion data have been received. Overall, the mean values of soil loss reported by the national institutes (EIONET-SOIL) are larger than the PESERA estimates, with the main differences being for sloping land (> 2°) and for the land cover type forest and heterogeneous agricultural [land cover types according to CORINE (“coordination of information on the environment”) Land Cover 2006].
In situ hydrogenation of molybdenum oxide nanowires for enhanced supercapacitors

In situ hydrogenation of orthorhombic molybdenum trioxide (α-MoO3) nanowires has been achieved on a large scale by introducing alcohol during the hydrothermal synthesis for electrochemical energy storage supercapacitor devices. The hydrogenated molybdenum trioxide (HxMoO3) nanowires yield a specific capacitance of 168 F g−1 at 0.5 A g−1 and maintain 108 F g−1 at 10 A g−1, which is 36-fold higher than the capacitance obtained from pristine MoO3 nanowires at the same conditions. The electrochemical devices made with HxMoO3 nanowires exhibit excellent cycling stability by retaining 97% of their capacitance after 3000 cycles due to an enhanced electronic conductivity and increased density of hydroxyl groups on the surface of the MoO3 nanowires.
Molecular dynamics simulations of polyelectrolyte solutions: Nonuniform stretching of chains and scaling behavior

We present the results of molecular dynamics simulations of polyelectrolyte solutions in near-ϑ-solvent conditions for polymer backbone. Polyelectrolyte solutions are modeled as an ensemble of bead-spring chains of charged Lennard-Jones particles with explicit counterions. Simulations were performed for both fully and partially charged polyelectrolyte chains with the number of monomers N varying from 25 to 300 in the range of polymer concentrations covering both dilute and semidilute regime. Polyelectrolyte chains in dilute solutions are nonuniformly stretched with the projection of the linear monomer density onto the end-to-end vector increasing logarithmically from the middle of the chain. The simulation results for chain size dependence on the degree of polymerization at different polymer concentrations are in good qualitative agreement with predictions of the modified scaling model that takes into account nonuniform stretching of polyelectrolyte chains. In semidilute solutions we confirm that the corr.
Preliminary Study of Rambutan (Nephelium lappaceum) Seed as Potential Biocoagulant for Turbidity Removal

This experiment was performed to determine the ability of the coagulation performance of rambutan seed in comparison to alum for potential use in turbidity removal in water and wastewater treatment industry. Experiments were conducted to find the optimum operating conditions for coagulation process such as coagulant dosage and pH and also suitable extracting solvent for the active agent (distilled water, NaCl and NaOH). 1 M NaCl was found to be an effective solvent for extracting the active coagulant agent in rambutan seed and gave about 99 % turbidity removal. The optimum rambutan seed dosages and pH was 100 mg/l and pH 3, resulting in > 90% turbidity removal. In order to reduce dependency on alum, 50% alum and 50% rambutan seed as coagulant combination was used in the order of alum first followed by rambutan seed. The highest turbidity removal of 99% was achieved compared to when using alum (91%) and seed (88%) alone. Rambutan seed coagulant exhibited faster sedimentation time due to bigger flocs formation and also smaller sludge volume than alum. The results suggest potential of using rambutan biomass as biocoagulant. Keywords: rambutan seed, alum, protein, natural coagulant, turbidity, solvent
Simulating Climate Change Effects in a Minnesota Agricultural Watershed

The effect of climate change on quality and quantity of runoff from a northern, agricultural watershed was simulated using the Soil and Water Assessment Tool, 1996 Version (SWAT96). SWAT`s snow evaporation submodel was modified. SWAT was calibrated using water quality and quantity data measured in the Cottonwood River near New ULM, MN. The standard errors after calibration were 3.31 mm, 157 kg/d, 752 kg/d, 3744 kg/d, and 85 t/d for mean monthly streamflow, P yield, ammonia (NH{sub 3})/organic N yield, nitrate (NO{sub 3}) yield, and sediment yield, respectively. The standard error for monthly streamflow was 9.62 mm. SWAT96 was then used to simulate the effect on the Cottonwood River watershed of a 2xCO{sub 2} climate scenario, obtained from the Canadian Climate Center`s global circulation model. Assuming land cover and land management remained constant, SWAT96 projected a decrease in mean annual streamflow, P yield, NH{sub 3}/organic N yield, NO{sub 3}/nitrate (NO{sub 2}) yield, and sediment yield. Mean monthly values changed significantly for many months of the year under the 2xCO{sub 2} climate scenario. The standard errors in SWATs baseline simulations, however, were too high for the simulated climate change effects to be measurable for NO{sub 3}/NO{sub 2} and sediment yields. Themore » model assumptions and calibration methods used to obtain the accuracy required for simulating the effects of climate change lead to the conclusions that land use/land cover and land management practices are likely to have a greater impact on water quality than climate change and that SWAT must be calibrated to be used for climate change analysis. « less
Growth Mechanism of Carbon Nanotubes over Gold-Supported Catalysts

Carbon nanotubes have been widely synthesized by chemical vapor deposition (CVD) in the presence of transition-metal catalysts, such as Fe and Co, because they have strong catalytic activities for both the decomposition of hydrocarbon feedstock and the formation of graphitic carbons. Recently, gold (Au) was reported to catalyze the growth of multi-wall and single-wall carbon nanotubes (MWNTs and SWNTs, respectively). Because of the low solubility of carbon in Au and the unique catalytic activity observed for Au nanoparticles, the growth mechanism and yield of nanotubes over Au catalysts are intriguing. In this paper, we investigated the catalytic activity of Au supported on various metal oxides, alumina (Al2O3), silica (SiO2), titania (TiO2), and magnesia (MgO), with different hydrocarbon feedstocks, methane (CH4), ethylene (C2H4), and acetylene (C2H2). We found that Au-supported catalysts have limited activity for the decomposition of the carbon source from the gas analyses and that only the catalyst supported on Al2O3 and SiO2 gave a small number of MWNTs when reacted with C2H4 or C2H2. The formation mechanism of MWNTs over the Au-supported catalysts is also discussed.
pH-Responsive Drug Release from Polymer-Coated Mesoporous Silica Spheres

A novel method was proposed to coat poly(methacrylic acid-co-vinyl triethoxylsilane) (PMV) on mesoporous silica spheres (MSSs) to obtain a core−shell pH-responsive drug-carrier (MSS/PMV). PMV was prepared by free radical polymerization of methacrylic acid (MAA) and vinyl triethoxylsilane (VTES), in which MAA acted as the pH-sensitive monomer and VTES acted as the siloxane-containing monomer to provide an anchoring effect with the MSS surface. The micrographs of MSSs before and after coating were investigated by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). It was found that the PMV shell with a thickness of 20 nm had been coated successfully on MSS particles. To confirm the pH-sensitivity of the PMV shell, we investigated the pH-response difference between MSS/PMV and MSS/PMV-H (acidified MSS/PMV) in NH4NO3/C2H5OH solution. It was found that the PMV shell of MSS/PMV was loose (“open” state) and allowed template molecules to penetrate it easily. By contrast, the PMV shell o.