Kinetics studies of 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol,and 2,4,4-trimethyl-1-pentanol with chlorine atoms: Photooxidation mechanism of 2,4,4-trimethyl-1-pentanol

The rate constants for the reaction between chlorine atoms and either 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol, or 2,4,4-trimethyl-1-pentanol at 298 K were determined using the relative method with 2-butanol and 1-pentanol as reference compounds. The values obtained for 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol, and 2,4,4-trimethyl-1-pentanol (k × 10¹⁰ cm³ molec⁻¹ s⁻¹) were, respectively, (2.64 ± 0.5), (2.72 ± 0.5), and (2.50 ± 0.4), in agreement with the values of the rate constants reported in bibliography for similar alcohols and the values estimated by structure activity relationship methods. The photooxidation products of 2,4,4-trimethyl-1-pentanol initiated by chlorine atoms were identified (formaldehyde, 2-propanone, 2,2-dimethyl propanal, 4,4,-dimethyl-2-pentanone, and 3,3-dimethylbutanal), and the reaction mechanism was determined.     

EXPERIMENTAL RESEARCH ON FAILURE AND ENERGY DISSIPATION CHRACTERISTICS OF THE SANDSTONE1)

通过三轴卸荷试验,探究了不同路径下卸荷速率对砂岩力学特性及破坏过程中的能量耗散的影响。试验结果表明在全过程应力-应变曲线的弹性阶段,轴向变形起主导作用,弹塑性阶段,环向应变的增加值大于轴向应变增加值。在围压卸荷阶段,卸荷速率越小,卸荷阶段的应变折合柔度越大,此时岩样的变形不充分,呈现明显的脆性破坏。恒主应力差路径下的耗散能大于恒轴压路径下的耗散能的35%,卸荷速率越大,岩样的弹性应变能越小。     

Rate constants of the reactions of O(3P) atoms with Br2 and NO2 over the temperature range 220-950 K

The kinetics of the reactions of Br₂ and NO₂ with ground state oxygen atoms have been studied over a wide temperature range, T = 220-950 K, using a low-pressure flow tube reactor coupled with a quadrupole mass spectrometer: O + NO₂ → NO + O₂ (1) and O + Br₂ → Br + BrO (2). The rate constant of reaction (1) was determined under pseudo–first-order conditions, either monitoring the kinetics of O-atom or NO₂ consumption in excess of NO₂ or of the oxygen atoms, respectively: k₁ = (6.1 ± 0.4) × 10⁻¹² exp((155 ± 18)/T) cm³ molecule⁻¹ s⁻¹ (where the uncertainties represent precision at the 2σ level, the estimated total uncertainty on k₁ being 15% at all temperatures). The temperature dependence of k₁, found to be in excellent agreement with multiple previous low-temperature data, was extended to 950 K. The rate constant of reaction (2) determined under pseudo–first-order conditions, monitoring the kinetics of Br₂ consumption in excess of O-atoms, showed upward curvature at low and high temperatures of the study and was fitted with the following three-parameter expression: k₂ = 9.85 × 10⁻¹⁶ T^1.41 exp(543/T) cm³ molecule⁻¹ s⁻¹ at T = (220-950) K, which is recommended from the present study with an independent of temperature conservative uncertainty of 15% on k₂.     

Quantitative estimations of bivariate summation‐integral–type operators

In this paper, we study the approximation properties of bivariate summation‐integral–type operators with two parameters . The present work deals within the polynomial weight space. The rate of convergence is obtained while the function belonging to the set of all continuous and bounded function defined on ([0],∞)(×[0],∞) and function belonging to the polynomial weight space with two parameters, also convergence properties, are studied. To know the asymptotic behavior of the proposed bivariate operators, we prove the Voronovskaya type theorem and show the graphical representation for the convergence of the bivariate operators, which is illustrated by graphics using Mathematica. Also with the help of Mathematica, we discuss the comparison by means of the convergence of the proposed bivariate summation‐integral–type operators and Szász‐Mirakjan‐Kantorovich operators for function of two variables with two parameters to the function. In the same direction, we compute the absolute numerical error for the bivariate operators by using Mathematica and is illustrated by tables and also the comparison takes place of the proposed bivariate operators with the bivariate Szász‐Mirakjan operators in the sense of absolute error, which is represented by table. At last, we study the simultaneous approximation for the first‐order partial derivative of the function.     

Cooling of Al-Cu-Fe-Cr-Ni high entropy alloy with different size

Cooling rate is critical in synthesizing nanoparticles (NPs), which determines the microstructure and the corresponding mechanical, thermal and electrical properties. This research, as the most initiative one, studies microstructure formation of three different sized high entropy alloy (HEA) NPs under three different cooling rates, employing molecular dynamics (MD). Through analysis of potential energy, “common neighbor analysis”, radial distribution function, and also the mean square displacement, it is found that phase transition temperature is independent of HEA NP size, and as cooling rate decrease, more amorphous atoms transform to fcc and hcp orders, which can alternate the mechanical and thermodynamic properties of the final structure. The Cr atoms are found to aggregate into one cluster inside the NP and also try to migrate to the surface of the HEA NP, due to the large diffusivity. This research provides new insights in the size dependency of the nanoparticles, which may motivate more applications in which the strong size dependency is not desirable.     

How vector feeding preference through an infectious host relates to the seasonal transmission rates in a mathematical vector‐host model

Vector‐borne diseases, such as leishmaniasis, dengue, malaria, and yellow fever, transmitted by microparasites show periodic fluctuations in their prevalence. The novelty of this research is to assess the relationship between the vector feeding preference for an infectious host and the annual seasonal transmission through a vector‐host mathematical model. For the first time, numerical simulations illustrate that by increasing the vector feeding preference value in the transmission dynamics, periodic fluctuations accentuate and the endemic equilibrium average increases in vector and host populations. Moreover, increasing the vector feeding preference value, the amplitude strengthens for the infectious host and vector populations. This periodic behavior shows a similar pattern with the Peruvian incidence data from 2000 to 2016 for Andean cutaneous leishmaniasis provided by the Ministry of Health of Peru (MINSA). In addition, using the Floquet theory, the time average method and the linear operator method provides for the first time that the basic reproduction number for a nonautonomous system depends explicitly on the vector feeding preference for the infectious host. The nonautonomous model system shows that is a threshold parameter for the local stability of the disease‐free periodic solution. Therefore, the vector feeding preference is an important factor that should be considered and attended to for future research. Public and veterinary health in Peru and other countries should consider the vector feeding preference for specific host to vector control.     

Phase segregation of metastable quenched liquid mixtures and the effect of the quenching rate

The effect of the quenching rate on the phase separation of partially miscible liquid mixtures is studied, showing that it may influence the growth rate of single-phase domains. In particular, the phase separation of metastable binary mixtures in the presence of strong emulsifiers appears to be heavily retarded. These effects constitute an important limitation to the phase transition extraction process introduced by the authors in previous works, which is based on the fact that phase separation of unstable mixtures is rapid, even in the presence of surface active compounds.     

Asymptotic analysis for multi-objective sequential stochastic assignment problems

ABSTRACT

We provide an asymptotic analysis of multi-objective sequential stochastic assignment problems (MOSSAP). In MOSSAP, a fixed number of tasks arrive sequentially, with an n-dimensional value vector revealed upon arrival. Each task is assigned to one of a group of known workers immediately upon arrival, with the reward given by an n-dimensional product-form vector. The objective is to maximize each component of the expected reward vector. We provide expressions for the asymptotic expected reward per task for each component of the reward vector and compare the convergence rates for three classes of Pareto optimal policies.     

Three-dimensional interfacial fracture analysis of a one-dimensional hexagonal quasicrystal coating

In this paper, the three-dimensional (3D) interfacial fracture is analyzed in a one-dimensional (1D) hexagonal quasicrystal (QC) coating structure under mechanical loading. A planar interface crack with arbitrary shape is studied by a displacement discontinuity method. Fundamental solutions of interfacial concentrated displacement discontinuities are obtained by the Hankel transform technique, and the corresponding boundary integral-differential equations are constructed with the superposition principle. Green’s functions of constant interfacial displacement discontinuities within a rectangular element are derived, and a boundary element method is proposed for numerical simulation. The singularity of stresses near the crack front is investigated, and the stress intensity factors (SIFs) as well as energy release rates (ERRs) are determined. Finally, relevant influencing factors on the fracture behavior are discussed.