Effects of heavy metal ions Cu^(2+)/Pb^(2+)/Zn^(2+)on kinetic rate constants of struvite crystallization

Struvite(MAP)crystallization technology is widely used to treat ammonia nitrogen in waste effluents of its simple operation and good removal efficiency.However,the presence of heavy metal ions in the waste effluents causes problems such as slow crystallization rate and small crystal size,limiting the recovery rate and economic value of the MAP.The present study was conducted to investigate the effects of concentrations of three heavy metal ions(Cu^(2+),Zn^(2+),and Pb^(2+))on the crystal morphology,crystal size,average growth rate,and crystallization kinetics of MAP.A relationship was established between the kinetic rate constant Ktcalculated by the chemical gradient model and the concentrations of heavy metal ions.The results showed that low concentrations of heavy metal ions in the solution created pits on the MAP surface,and high level of heavy metal ions generated flocs on the MAP surface,which were composed of metal hydroxides,thus inhibiting crystal growth.The crystal size,average growth rate,MAP crystallization rate,and kinetic rate constant Ktdecreased with the increase in heavy metal ion concentration.Moreover,the Ktdemonstrated a linear relationship with the heavy metal concentration ln(C/C~*),which provided a reference for the optimization of the MAP crystallization process in the presence of heavy metal ions.

The variation in basal channels and basal melt rates of Pine Island Ice Shelf

In recent years,there has been a significant acceleration in the thinning,calving and retreat of the Pine Island Ice Shelf(PIIS).The basal channels,results of enhanced basal melting,have the potential to significantly impact the stability of the PIIS.In this study,we used a variety of remote sensing data,including Landsat,REMA DEM,ICESat-1 and ICESat-2 satellite altimetry observations,and Ice Bridge airborne measurements,to study the spatiotemporal changes in the basal channels from 2003 to 2020 and basal melt rate from 2010 to 2017 of the PIIS under the Eulerian framework.We found that the basal channels are highly developed in the PIIS,with a total length exceeding 450 km.Most of the basal channels are ocean-sourced or groundingline-sourced basal channels,caused by the rapid melting under the ice shelf or near the groundingline.A raised seabed prevented warm water intrusion into the eastern branch of the PIIS,resulting in a lower basal melt rate in that area.In contrast,a deepsea trough facilitates warm seawater into the mainstream and the western branch of the PIIS,resulting in a higher basal melt rate in the main-stream,and the surface elevation changes above the basal channels of the mainstream and western branch are more significant.The El Ni?o event in 2015–2016 possibly slowed down the basal melting of the PIIS by modulating wind field,surface sea temperature and depth seawater temperature.Ocean and atmospheric changes were driven by El Ni?o,which can further explain and confirm the changes in the basal melting of the PIIS.

Temperature dependence of the absolute rate constant for the reaction of ozone with dimethyl sulfide

Absolute rate constants for the reaction of ozone with dimethyl sulfide （DMS） were measured in a 200-L Teflon chamber over the temperature range of 283-353 K. Measurements were carried out using DMS in large excess over ozone of 10 to 1 or greater. Over the indicated temperature range, the data could be fit to the simple Arrhenius expression as kDMS = （9.96 ± 3.61） × 10^-11 exp （-（7309.7 ± 1098.2）/T） cm^3/（molecule.s）. A compared investigation of the reaction between ozone and ethene had a kC2H4 value of （1.35 ± 0.11） × 10^-18 cm^3/（molecule.s） at room temperature.

Predicting Rate Constants for Nucleophilic Reactions of Amines with Diarylcarbenium Ions Using an ONIOM Method

The rate constants of the nucleophilic reactions between amines and benzhydrylium ions were calculated using first-principles theoretical methods. Solvation models including PCM, CPCM, and COSMORS, as well as different types of atomic radii including UA0, UAKS, UAHF, Bondi, and UFF, and several single-point energy calculation methods （B3LYP, B3P86, B3PW91, BHANDH, PBEPBE, BMK, M06, MP2, and ONIOM method） were examined. By comparing the correlation between experimental rate constants and the calculated values, the ONIOM（CCSD（T）/6-311＋＋G（2df,2p）：B3LYP/6-311＋＋G（2df,2p））//B3LYP/6- 31G（d）/PCM/UFF） method was found to perform the best. This method was then employed to calculate the rate constants of the reactions between diverse amines and diarylcarbenium ions. The calculated rate constants for 65 reactions of amines with diarylcarbenium ions are in agreement with the experimental values, indicating that it is feasible to predict the rate constant of a reaction between an amine and a diarylcarbenium ion through ab initio calculation.

Kinetic Rate Constant of Liquid Drainage from Colloidal Gas Aphrons

A kinetic model fitted by the empirical equation has been proposed to describe the liquid drainage behavior. Rate constants （kd） of liquid drainage equation could be obtained from the above empirical equation. In this paper, the stability of the colloidal gas aphrons （CGAs）, the effect of concentrations of sodium dodecyl benzene sulphate （SDBS）, dodecyl trimethylammonium bromide （HTAB） and polyoxyethylene sorbitol anhydride monolaurate（Tween-20）, temperature, stirring speed, stirring time, and various kinds of salts on the kd of liquid drainage are further investigated. The results show that the Arrhenius equation can be successfully used to describe the relation between kd arid absolute temperature （T）, and concentrations of surfactants, stirring speed, stirring time and salinities also have great effect on the kd. At last, the CGAs drainage mechanism is explained from analysis of the rate of liquid drainage as a function of time.

QSBR Study on the Biodegradation Rate Constant of Chloro-phenol Compounds

Structural and thermodynamic parameters of 16 chloro-phenol compounds in water solution were calculated and fully optimized by using Onsager model in self-consistent reaction field（SCRF） based on the B3LYP/6-311G＊＊ level.These quantum chemical parameters were used as theoretical descriptors to correlate with the experimental biodegradation rate constant（Kb） of 16 compounds by stepwise multiple linear regression.As a result,a three-parameter model including molecular average polarizability（α）,entropy（Sθ）,and molar heat capacity at constant volume（CVθ） were established for Kb prediction,which was proposed with correlation coefficient R2 = 0.894.α exhibits the most significant effect on Kb.Variance analysis and standard t-value test were applied to validate the model.As expected,this model exhibits good robustness and prediction ability,which can be used in Kb prediction of analogs.

A model for estimating the rate constant between CO_2-CO gas and molten slag containing iron oxides using optical basicity

A simple model for estimating the rate constant between CO2-CO gas and molten slag containing iron oxides was developed using optical basicity only. In this model, the temperature dependence of the rate constant can be described by the Arrhenius law, and the activation energy can be expressed with a linear function of the slag＇s optical basicity. The model was applied to some molten slag systems, such as FeO, FeO-CaO, FeO-SiO2, FeO-Na2O, FeO-CaO-SiO2, FeO-SiO2-P2O5, FeO-SiOE-Na2O, and FeO-CaO-SiOE-P2O5. A comparison between the predicted results and measured data showed that the model worked well.

Rate Constants for the Reactions of NO_3~.and SO_4^(._) Radicals with Oxalic Acid and Oxalate Anions in Aqueous Solution

Rate constants for the reactions of NO3 and SO4 radicals with oxalic acid and oxalate anions in aqueous solution have been measured using pulse radiolysis and laser flash photolysis.

Constant False Alarm Rate Acquisition Algorithm for Compass B1C Signal

In order to improve the sensitivity of the Compass B1C signal acquisition for the receiver,the principle of constant false alarm rate(CFAR)is applied for the B1C pilot channel acquisition to realize the dynamic adjustment of the threshold of acquisition against the carrier to noise ratio.The non-coherent data/pilot combined acquisition algorithm for B1C signal is analyzed to make full use of the power of the B1C signal under the condition of low carrier to noise ratio.On this basis,to improve the acquisition sensitivity of the receiver,the principle of constant false alarm probability is applied for the non-coherent data/pilot combined acquisition algorithm.Theoretical analysis and simulations show that the non-coherent data/pilot combined acquisition algorithm with CFAR improves the B1C signal acquisition sensitivity of the receiver significantly,and achieves a better Receiver Operating Characteristic compared with the traditional acquisition algorithms.

Theoretical prediction of energy dependence for D+BrO→DBr+O reaction:The rate constant and product rotational polarization

A quasi-classical trajectory（QCT） calculation is used to investigate the vector and scalar properties of the D ＋ Br O → DBr ＋ O reaction based on an ab initio potential energy surface（X1A state） with collision energy ranging from 0.1 kcal/mol to 6 kcal/mol. The reaction probability, the cross section, and the rate constant are studied. The probability and the cross section show decreasing behaviors as the collision energy increases. The distribution of the rate constant indicates that the reaction favorably occurs in a relatively low-temperature region（T 〈 100 K）. Meanwhile, three product angular distributions P（θr）, P（φr）, and P（θr, φr） are presented, which reflect the positive effect on the rotational angular momentum j＇ polarization of the DBr product molecule. In addition, two of the polarization-dependent generalized differential cross sections（PDDCSs）, PDDCS00 and PDDCS20, are computed as well. Our results demonstrate that both vector and scalar properties have strong energy dependence.

Effect of melting rate on microsegregation and primary MC carbides in M2 high-speed steel during electroslag remelting

Large-size primary MC carbides can significantly reduce the performance of M2 high-speed steel.To better control the morphology and size of primary MC carbides,the effect of melting rate on microsegregation and primary MC carbides of M2 steel during electroslag remelting was investigated.When the melting rate is decreased from 2 kg·min^(-1) to 0.8 kg·min^(-1),the columnar dendrites are gradually coarsened,and the extent of segregation of Mo and V is alleviated,while the segregation of Cr becomes severe.At 2 kg·min^(-1),the number of primary MC carbides per unit area with the sizes in the range of 2 μm to 6 μm accounts for about 75% of all MC carbides,while the carbides are mainly concentrated on the size larger than 8 μm at 0.8 kg·min^(-1).Thermodynamic calculations based on the Clyne-Kurz (simplified to C-K) model shows that MC carbide can be precipitated in the final solidification stage and a smaller secondary dendrite arm spacing caused by higher melting rate (2 kg·min^(-1) in this experiment) facilitates the refinement of primary MC carbides.

Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study

Basing on the DFT calculations we propose the new theoretical model which describes both the surface tension σ of the short chain n-alkanes at their normal boiling points and their reaction rate constants with hydroxyl radicals OH• (at 297 ± 2 K) on the basis of their molecular orbital electronic characteristics. It has been shown that intermolecular dispersion attraction within the surface liquid monolayer of these compounds, as well as their reaction rate constants k with OH• radicals are determined by the energies Eorb of the specific occupied molecular orbitals which are the same in the determination of both the above physico-chemical characteristics of the studied n-alkanes. The received regression equations confirm the theoretically found dependences between the quantities of σ and k and the module |Eorb|. For the compounds under study this fact indicates the key role of their electronic structure particularities in determination of both the physical (surface tension) and the chemical (reaction rate constants) properties.

Effect of Melt Scan Rate on Microstructure and Macrostructure for Electron Beam Melting of Ti-6Al-4V

Microstructure and variations in porosity in Ti-6Al-4V samples built with electron beam melting (EBM) over a range of melt scan speeds, ranging from 100 mm·s-1 to 1000 mm·s-1 were examined. Microstructure was characterized by refinement of α-phase and transformation to α′-martensite. Light optical microscopy, scanning electron microscopy, and transmission electron microscopy were used to observe these phenomena, while corresponding tensile testing and associated macro and microindentation hardness measurements were used to define the microstructural variations. Relative stiffness was observed to be linearly log-log related to relative density, corresponding to ideal porosity associated with open-cellular structures.

Apparent 1^st order rate constant of photodegradation of formaldehyde by carbon containing TiO2 nanoparticles

The apparent 1^st order rate constant of photodegradation of formaldehyde by carbon containing TiO2 nanoparticles has been investigated by numerical integration of mass transfer equation with measured degradation degree using a tubular photoreactor. The carbon containing TiO2 nanoparticles are synthesized by the oxidation of TiCl4 in propane/air flame CVD process with futile fraction up to 0.3 and carbon mass fractions up to 0.22, respectively. Thin TiO2 film is coated on the wall of the tubular reactor by sedimentation method. Effects of rutile mass fraction and carbon content have been examined on the apparent 1 ^st order rate constant and results show that, at 570ppm of formaldehyde loaded air stream, 80% relative humidity and about 100nm thin TiOa film, the 1^st order rate constant increases with increasing rutile mass fraction up to 0.3, occurs a maximum at the carbon content of about 5% by weight and is about 2.5 times of that at carbon content about zero or above 10%.

Performance of Order-statistics Constant-false-alarm-rate Detector with Noncoherent Integration and Its Application to OTH Radar

Noncoherent integration is often ed for approving performance in detection of radar signal. Order-statistics constant false alarm rate (OS-CFAR) detector has some advantages in clutter and multiple target situations. AnOS-CFAN detector with noncoherent integration after Square law envelope detector is presented and an analysis of detection performance for the chi-Square family of Swerling fluctuating targets is given. Its application to the high frequency(HF) ground wave over-the-horizon (OTH) radar is discussed as well.

Effects of electrode immersion depth and remelting rate on electroslag remelting process

In the electroslag remelting process, the electrode molten state is a critical factor determining the ingot quality, while the electrode immersion depth and melting rate are key factors for the stability of the electroslag re-melting process. Studies were carried out to investigate the microscopic and macroscopic effects of electrode immersion depth and melting rate on the potential distribution and heat density in the slag bath, and on the depth and shape of the molten bath. Based on the finite element method and the numerical solution method, the effect of the electrode immersion depth on the slag bath heat density was researched; the relationship between the electrode immersion depth and the slag resistance was obtained; and the unsteady-state model of the solidification process of the re-melting ingot was solved using the finite difference method. The mathematical model and physical model of the electrode melting process were established and solved; and the corresponding curves between the electrode molten-state and slag-bath physical parameters were obtained. The experimental results verified the simulated results studied in this paper.

Sliding modes of fault activation under constant normal stiffness conditions

Fault activation has been the focus of research community for years.However,the studies of fault activation remain immature,such as the fault activation mode and its major factors under constant normal stiffness(CNS)conditions associated with large thickness of fault surrounding rock mass.In this study,the rock friction experiments were conducted to understand the fault activation modes under the CNS conditions.Two major parameters,i.e.the initial normal stress and loading rate,were considered and calibrated in the tests.To reveal the response mechanism of fault activation,the local strains near the fault plane were recorded,and the macroscopic stresses and displacements were analyzed.The testing results show that the effect of displacement-controlled loading rate is more pronounced under the CNS conditions than that under constant normal load(CNL)conditions.Both the normal and shear stresses drop suddenly when the stick-slip occurs.The decrease and increase of the normal stress are synchronous with the shear stress in the regular stick-slip scenario,but mismatch with the shear stress during the chaotic stick-slip process.The results are helpful for understanding the fault sliding mode and the prediction and prevention of fault slip.

RESEARCH ON RELATION BETWEEN MELTING POINT OF CEMENT CLINKER AND HEATING RATE

The relation between the melting point of Portland cement raw meal and its heating rate have been studied. The raw meal was burnt at different heating rate ranging from 10 similar to 900 degrees C/min Dy the following methods: (A) in electric resistance furnace; (B) in DTA-TG analyzer with infrared ray focused heating; (C) in high temperature microscope with electron stream heating. Based on thermal analysis theory and melt theory and the tests above, it is found that melting point T-m of cement raw meal decreases with the increased heating rate Phi during burning in the following relation: T-m=1280-0.107 empty set.

Reaction-path Dynamics and Theoretical Rate Constants for the Reaction of CH_3CH_2OCF_3 with HOOO Radical

A dynamic method is employed to study the reaction mechanisms of CH3CH2OCF3 with the hydrogen trioxy （HOOO） radical. In our paper, the geometries and harmonic vibrational frequencies of all the stationary points and minimum energy paths （MEPs） are calculated at the MPW1K/6-31＋G（d,p） level of theory, and the energetic information along MEPs is further refined by the CCSD/6-31＋G（df, p） level of theory. The rate constants are evaluated with the conventional transition-state theory （TST）, the canonical variational transition-state theory （CVT）, the microcanonical variational transition-state theory （μVT）, the CVT coupled with the small-curvature tunneling （SCT） correction （CVT/SCT）, and the μVT coupled with the Eckart tunneling correction μVT/Eckart） based on the ab initio calculations in the temperature range of 200-3000 K. The theoretical results are important in determining the atmospheric lifetime and the feasible pathways for the loss of HFEs.

A numerical model of wire melting rate in variable-polarity submerged arc welding

Based on the pre-existing wire melting rate model of direct-current submerged arc welding （ DC-SAW） , a new numerical model of wire melting rate was developed for variable-polarity submerged are welding （VP-SAW） by accounting for the combined effects of duty cycle β and offset α. The experimental measurements are in a good agreement with the results calculated by this new wire melting rate model, with the maximum discrepancy being less than 10%. Therefore it is evident that this new numerical model can successfully describe the dependence of wire melting rate on the duty cycle β and offset α.