Bound-Preserving Discontinuous Galerkin Methods with Modified Patankar Time Integrations for Chemical Reacting Flows

In this paper,we develop bound-preserving discontinuous Galerkin(DG)methods for chemical reactive flows.There are several difficulties in constructing suitable numerical schemes.First of all,the density and internal energy are positive,and the mass fraction of each species is between 0 and 1.Second,due to the rapid reaction rate,the system may contain stiff sources,and the strong-stability-preserving explicit Runge-Kutta method may result in limited time-step sizes.To obtain physically relevant numerical approximations,we apply the bound-preserving technique to the DG methods.Though traditional positivity-preserving techniques can successfully yield positive density,internal energy,and mass fractions,they may not enforce the upper bound 1 of the mass fractions.To solve this problem,we need to(i)make sure the numerical fluxes in the equations of the mass fractions are consistent with that in the equation of the density;(ii)choose conservative time integrations,such that the summation of the mass fractions is preserved.With the above two conditions,the positive mass fractions have summation 1,and then,they are all between 0 and 1.For time discretization,we apply the modified Runge-Kutta/multi-step Patankar methods,which are explicit for the flux while implicit for the source.Such methods can handle stiff sources with relatively large time steps,preserve the positivity of the target variables,and keep the summation of the mass fractions to be 1.Finally,it is not straightforward to combine the bound-preserving DG methods and the Patankar time integrations.The positivity-preserving technique for DG methods requires positive numerical approximations at the cell interfaces,while Patankar methods can keep the positivity of the pre-selected point values of the target variables.To match the degree of freedom,we use polynomials on rectangular meshes for problems in two space dimensions.To evolve in time,we first read the polynomials at the Gaussian points.Then,suitable slope limiters can be applied to enforce the positivity of the solutions at those points,which can be preserved by the Patankar methods,leading to positive updated numerical cell averages.In addition,we use another slope limiter to get positive solutions used for the bound-preserving technique for the flux.Numerical examples are given to demonstrate the good performance of the proposed schemes.

Analysis of the Cicatricial Acceleration Method (MAC®) in Skin Repair in Wistar Rattus norvegicus with Induced Chemical Burns

Introduction: The cicatricial acceleration method (MAC®) promotes photobiological effects of an anti-inflammatory and healing nature. Its therapeutic radiation is emitted, producing photobiostimulant effects that result in rapid tissue repair and better tissue quality. The treatment of burns has always been a challenge, which involves both performing surgery and controlling and guiding scar regeneration, avoiding possible morbidities. Objective: To evaluate the effects of applying the MAC methodology with an AlGa (aluminum, gallium arsenide) laser on the time and quality of tissue repair in the skin of rats after induced chemical burns. Method: 22 adult male rats were subjected to a second-degree chemical burn on the back using 50% trichloroacetic acid. After the burns, the animals were randomly separated into 2 groups: control and experimental. The control group (G1) received placebo laser therapy and the laser group (G2) underwent laser irradiation with an energy density of 100 J/cm2. Histological analysis and macroscopic evaluation were carried out by means of the paper template method. Results: Group G1 showed (53%) of the necrosis area and group G2 showed (11%) necrosis area. Conclusion: The cicatricial acceleration method (MAC®) favored the repair of wounds caused by a 2nd-degree chemical burn, optimizing time and improving quality.

Synthesis and Characterization of Y-Doped Mesoporous CeO_2 Using A Chemical Precipitation Method

Using cetyltrimethylammonium bromide （CTAB） as the template agent, cerium nitrate as the cerium resource, yttrium nitrate as the yttrium resource, and ammonium carbonate as the precipitating agent, mesoporous CeO2 powders doped with different yttrium contents were successfully synthesized using a chemical precipitation method, under an alkalescent condition. Properties of the obtained samples were characterized and analyzed with X-ray diffraction （XRD）, energy dispersive analysis of X-rays （EDAX）, transmission electron microscopy （TEM）, infrared （IR） absorbance, and the BET method. For the prepared samples with 20% （molar ratio） Y-doped content, a BET specific surface area of 106. 6 m^2 · g^- 1, with an average pore size of3~27 nm were obtained. XRD patterns showed that the doped samples were with a cubic fluorite structure. TEM micrographs revealed that the doped samples showed a spherical morphology with a diameter ranging from 20 to 30 nm and a round pore shape. IR results indicated that the Ce-O-Ce vibration intensity decreased as the Y-doped content increased. N2 adsorption-desorption isotherms showed that the samples possessed typical mesopore characteristics. The average pore size of the samples decreased alter mesoporous CeO2 was doped with yttrium, and the average pore size decreased largely as the Y-doped content increased.

Emergency control of Spartina alterniflora re-invasion with a chemical method in Chongming Dongtan,China

The exotic species Spartina alterniflora(S.alterniflora)seriously threatens the stability and functioning of saltmarsh ecosystems in the Yangtze Estuary.Ambitious efforts have been undertaken to control this species,but subsequent re-invasion is frequent,presenting a significant barrier to restoration.The complexity and high cost of integrated physical control programs has necessitated a shift in focus,leading to considerable attention being paid to the potential of herbicides to control S.alterniflora.To find a strategy for emergency control of small and scattered patches of re-invading S.alterniflora,an in situ field experiment using Gallant(Haloxyfop-R-methyl)herbicide was conducted.The growth parameters of plant density and height were used to evaluate the control efficiency of different treatment dosages and times and sediment samples were taken for environmental toxicity analysis.The results show the following:(1)the control efficacy of the maximum proposed application dose(2.70 g/m2)was 92%for continuous swards and 100%for small patches,while those of other dosages(0.45 g/m2,0.90 g/m2,and 1.35 g/m2)were lower than 40%;(2)the appropriate implementation time was July to August with 100%mortality resulting from a single application,while S.alterniflora was shown to be capable of recovering rapidly after treatment in May;and(3)there were no significant differences in the community structure of meiofauna among the herbicide treatments and the control,and no herbicide residues were detected in sediment samples collected from treatment areas.This chemical control method was implemented in the Shanghai Chongming Dongtan National Bird Nature Reserve(CDNR).The results of this study indicate that Gallant is an environmentally friendly herbicide with high efficiency,which can be adopted for emergency control of re-invading S.alterniflora.

Fischer–Tropsch synthesis using Co and Co-Ru bifunctional nanocatalyst supported on carbon nanotube prepared via chemical reduction method

We used a chemical reduction method to synthesize the catalysts of cobalt(Co) and cobalt-ruthenium(Co-Ru) bifunctional supported on carbon nanotubes(CNTs) for Fischer–Tropsch synthesis(FTS) in a fixedbed reactor. These Co-Ru/CNTs catalysts were synthesized with various weight proportions of Ru/Co(0.1 to 0.4 wt%) with keeping a fixed amount of cobalt(10 wt%). Moreover, for comparison purpose, CNTs supported Co-and Co(Ru)-based catalysts at same loading as the above catalysts were prepared through impregnation method. We characterize the present catalysts through the various techniques such as Energy–dispersive X-ray(EDX), Transmission Electron Microscopy(TEM), Brunauer–Emmett–Teller(BET),Hydrogen-Temperature-Programmed Reduction(H_2-TPR), Hydrogen-Temperature-Programmed Desorption(H_2-TPD) and O_2 titration. Thus using the chemical reduction method, a narrow particle size distribution was obtained so that the small cobalt particles were confined inside the CNTs. The Co-based catalyst prepared by impregnation was compared with the Co-Ru catalysts at the same loading. The results demonstrated that the use of chemical reduction method led to decrease the average Co oxide cluster size to8.7 nm so that the reduction enhanced about 24% and stabilized an earlier time at the stream. Among the prepared catalysts, the results indicated that the Co-Ru/CNTs catalysts demonstrated high catalytic activity with the highest long-chain hydrocarbons(C_(5+)), selectivity up to 74.76%, which was higher than those we obtained by the Co-Ru/γ-Al_2O_3(61._20%), Co/CNTs(43.68%) and Co/γ-Al_2O_3(37.69%). At the same time, comparing with those catalyst synthesized by impregnation, the use of chemical reduction led to enhancement of the C_(5+) selectivity from 59.30% to 68.83% and increment in FTS rate about 11% for the Co-Ru/CNTs catalyst.

Preparation of calcium stannate by modified wet chemical method

A modified wet chemical route for low-temperature synthesis of the calcium stannate CaSnO3, a potentialmaterial for dielectric applications is reported. Firstly, a precursor CaSn(OH)6 was prepared using tin tetrachloride,calcium chloride and sodium hydroxide at room temperature. Then the precursor was annealed at relatively low tem-perature of 600 ℃ to obtain CaSnO3. The phase identification, thermal behavior and surface morphology of the sam-ples were characterized by element analysis, X-ray diffraction (XRD), thermo-gravimetric (TG) analysis and deriva-tive thermo-gravimetric (DTG) analysis, Fourier transform infrared spectroscopy (FTIR) and scanning electron mi-croscopy (SEM) in detail. The results show that CaSnO3 obtained by this method possesses a cubic perovskitestructure with average grain size of 5 μm.

Modified Augmented Lagrange Multiplier Methods for Large-Scale Chemical Process Optimization

Chemical process optimization can be described as large-scale nonlinear constrained minimization. The modified augmented Lagrange multiplier methods (MALMM) for large-scale nonlinear constrained minimization are studied in this paper. The Lagrange function contains the penalty terms on equality and inequality constraints and the methods can be applied to solve a series of bound constrained sub-problems instead of a series of unconstrained sub-problems. The steps of the methods are examined in full detail. Numerical experiments are made for a variety of problems, from small to very large-scale, which show the stability and effectiveness of the methods in large-scale problems.

Improvements of marine clay slurries using chemicale-physical combined method(CPCM)

In this paper, the effectiveness, applicability and validity of chemicalephysical combined methods（CPCMs） for treatment of marine clay （MC） slurries were evaluated. The method CPCM1 combineschemical stabilization and vacuum preloading （VP）, while CPCM2 is similar to CPCM1 but includes boththe application of surcharge and use of geo-bags to provide confinement during surcharge preloading.The key advantage of CPCM2 using geo-bags is that the surcharge can be immediately applied on thechemically stabilized slurries. Two types of geo-bags were investigated under simulated land filling anddyke conditions, respectively. The test results show that the shear strength （cu） of treated slurry byCPCM2 is generally much higher than that by CPCM1. Besides, the use of CPCM2 can significantly reducethe treatment time due to the short drainage paths created by geo-bags. Overall, CPCM2 allows fasterconsolidation and higher preloading that help to achieve higher mechanical properties of the stabilizedslurry. There are consistent relationships between cU and water content of slurries treated by CPCM2.Several important observations were also made based on comparisons of experimental data. 2015 Institute of Rock and Soil Mechanics, Chinese Academy of Sciences. Production and hosting byElsevier B.V. All rights reserved.

Source Apportionment of Ambient PM_(10) in the Urban Area of Longyan City,China:a Comparative Study Based on Chemical Mass Balance Model and Factor Analysis Method

In order to identify the day and night pollution sources of PM10 in ambient air in Longyan City,the authors analyzed the elemental composition of respirable particulate matters in the day and night ambient air samples and various pollution sources which were collected in January 2010 in Longyan with inductivity coupled plasma-mass spectrometry（ICP-MS）.Then chemical mass balance（CMB） model and factor analysis（FA） method were applied to comparatively study the inorganic components in the sources and receptor samples.The results of factor analysis show that the major sources were road dust,waste incineration and mixed sources which contained automobile exhaust,soil dust/secondary dust and coal dust during the daytime in Longyan City,China.There are two major sources of pollution which are soil dust and mixture sources of automobile exhaust and secondary dust during the night in Longyan.The results of CMB show that the major sources are secondary dust,automobile exhaust and road dust during the daytime in Longyan.The major sources are secondary dust,soil dust and automobile exhaust during the night in Longyan.The results of the two methods are similar to each other and the results will guide us to plan to control the PM10 pollution sources in Longyan.

Effects of Varieties and Cooking Methods on Physical and Chemical Characteristics of Cooked Rice

To analyze the effect of different lowland rice varieties and different cooking methods on physical and chemical characteristics of cooked rice. A factorial randomized block design with two factors was used and each combination of the factors was repeated three times. The first factor was rice variety（Ciherang and Ciliwung） and the second factor was the cooking method（stovetop, boiling and steaming, and rice cooker）. Results showed that Ciherang and Ciliwung varieties were classified into slender grain rice type with yellowred color. The amylose content of Ciherang was classified as moderate, while the amylose content of Ciliwung classified as low. The most abundant amino acid contained in Ciherang and Ciliwung varieties was glutamic acid. Statistical analysis showed that cooking method had significant effects on texture, lightness, chroma, hue and moisture content of cooked rice. Rice cooked with liwet method had the lowest texture value, lowest lightness value, highest chroma value, and highest moisture content.

Synthesis of γ-Al_2O_3 nanoparticles by chemical precipitation method

Highly pure active γ-Al2O3 nanoparticles were synthesized from aluminum nitrate and ammonium carbonate with a little surfactant by chemical precipitation method. The factors affecting the synthesis process were studied. The properties of γ-Al2O3 nanoparticles were characterized by DTA, XRD, BET, TEM, laser granularity analysis and impurity content analysis. The results show that the amorphous precursor AI（OH）3 sols are produced by using 0.1 mol/L Al（NO3）3·9H2O and 0.16 mol/L （NH4）2CO3·H2O reaction solutions, according to the volume ratio 1.33, adding 0.024%（volume fraction） surfactant PEG600, and reacting at 40℃, 1000 r/min stirring rate for 15min. Then, after stabilizing for 24 h, the precursors were extracted and filtrated by vacuum, washed thoroughly with deionized water and dehydrated ethanol, dried in vacuum at 80℃ for 8h, final calcined at 800℃ for 1h in the air, and high purity active γ-Al2O3 nanoparticles can be prepared with cubic in crystal system, OH^7-FD3M in space group, about 9 nm in crystal grain size, about 20 nm in particle size and uniform size distribution, 131.35 m^2/g in BET specific surface area, 7 - 11 nm in pore diameter, and not lower than 99.93% in purity.

Chemical Analysis Method for Carbon Bearing Refractory Products——Determination of the Total Carbon by Combustion Gravimetric Method

GB/T 13245-91 1 Theme and Scope This standard specifies the method abstract, reagents, apparatus, specimen, analyzing procedure, result calculation and permissible tolerance used for determination of the total carbon with combustion gravimetric method.

Chemical Analysis Method for Magnesia and Magnesia-Alumina Refractories——Gravimetric-Molybdenum Blue Photometric Method for Determination of Silicon Dioxide Content

This standard specifies the gravimetric-molybdenum blue photometric method for determination of silicon dioxide content.

Synthesis and characteristics of large-scale ZnO rods by wet chemical method

The large-scale ZnO rods of submicrometer were prepared on the bare glass using a wet chemical method under different experimental parameters,such as the reactant concentration and the growth time.The microstructure of the ZnO rods was characterized by X-ray diffractometry(XRD) and field emission scanning electron microscopy (FESEM) with the energy dispersive X-ray spectroscopy(EDX),and the optical property was investigated by the room-temperature photoluminescence (PL) spectra.XRD and FESEM results show that the wurtzite structure and rod-like ZnO is obtained.The length (3-8 μm) and the diameter (400 nm-3 μm) vary with the experimental parameters.A strong UV emission at 384 nm and a weak visible yellow-green emission around 570 nm are observed in the PL spectrum.After annealing at 600 ℃ in air,the UV peak intensity increases obviously and the yellow-green peak intensity decreases greatly.The near-band-edge UV emission is attributed to the exciton recombination; the yellow-green emission can be associated with the defect recombination; and some defect complexes may be responsible for the latter emission.

A Novel Method of the Preparation ofChemically Modified Electrodes

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The Preparation of Nano Silver by Chemical Reduction Method

A silver nanostructures prepared by using chemical reduction method. The silver nanoparticles were prepared with diameters of about (20 nm). Numerous techniques had been used to study the optical, structural like the UV-Vis absorption spectrometer, Ttransmission Electron Microscopy (TEM), Field-Emission Scanning Electron microscope (FESEM), and X-ray diffraction (XRD). The practical results exhibited the absorption spectrum of the prepared nanoparticles at (357 nm), it was found that there is a relationship between the positions of the optical absorption peak and the size of the silver nanoparticles. The analysis of TEM results showed the presence of nanoparticles in the range (20 nm). The analyzing of XRD results explained the crystal structure for silver nanoparticles. It is found a cubic unit cell have a lattice constants (a = 4.0855 Å), with the Miller indices were (111), (002), (002), and (113).

The Study of Alcoholysis of 1,2-Thiazetidine-l,l-dioxide with Quantum Chemical Method

The alcoholysis mechanism of 1,2-thiazetidine-1,1-dioxide with methanol, in which the relatively stable product is sulfonate ester, has been investigated by quantum chemical method. Our calculations indicate the reaction for alcoholysis of 1,2-thiazetidine-1,1-dioxide proceeds via two possible mechanisms: concerted and stepwise. In the stepwise mechanism, two possible reaction pathways can be followed while only one possible reaction pathway can be followed in the concerted mechanism.

Preparation of Superhydrophobic ZnO Films on Zinc Substrate by Chemical Solution Method

Superhydrophobic surface was prepared on the zinc substrate by chemical solution method via immersing clean pure zinc substrate into a water solution of zinc nitrate hexahydrate[Zn（NO3）2.6H2O] and hexamethylenete- traamine（C6H12N4） at 95 ℃ in water bath for 1.5 h, then modified with 18 alkanethiol. The best resulting surface shows superhydrophobic properties with a water contact angle of about 158° and a low water roll-off angle of around 3°. The prepared samples were characterized by powder X-ray diffraction（XRD）, X-ray photoelectron spectroscopy （XPS）, energy-dispersive X-ray spectroscopy（EDX）, transmission electron microscopy（TEM）, and scanning electron microscopy（SEM）. SEM images of the films show that the resulting surface exhibits flower-shaped micro- and nano-structure. The surfaces of the prepared films were composed of ZnO nanorods which were wurtzite structure. The special flower-like micro- and nano-structure along with the low surface energy leads to the surface superhydro- phobicity.

Systematic Method for Constructing Lewis Representations

The systematic method for constructing Lewis representations is a method for representing chemical bonds between atoms in a molecule. It uses symbols to represent the valence electrons of the atoms involved in the bond. Using a number of rules in a defined order, it is often better suited to complicated cases than the Lewis representation of atoms. This method allows us to determine the formal charge and oxidation number of each atom in the edifice more efficiently than other methods.

First-Principles Methods in the Investigation of the Chemical and Transport Properties of Materials under Extreme Conditions

Earth is a dynamic system. The thermodynamics conditions of Earth vary drastically depending on the depth, ranging from ambient temperature and pressure at the surface to 360 GPa and 6600 K at the core. Consequently, the physical and chemical properties of Earth’s constituents (e.g., silicate and carbonate minerals) are strongly affected by their immediate environment. In the past 30 years, there has been a tremendous amount of progress in both experimental techniques and theoretical modeling methods for material characterization under extreme conditions. These advancements have elevated our understanding of the properties of minerals, which is essential in order to achieve full comprehension of the formation of this planet and the origin of life on it. This article reviews recent computational techniques for predicting the behavior of materials under extreme conditions. This survey is limited to the application of the first-principles molecular dynamics (FPMD) method to the investigation of chemical and thermodynamic transport processes relevant to Earth Science.