离散颗粒层被横向推移过程中的力学行为研究

研究发现,颗粒物质层被匀速推移挤压过程中,所需推移力先以线性规律增加,在某一确定点后,则会以指数规律增加.而颗粒物质是由众多离散颗粒组成的软凝聚态物质,其宏观上反映的是离散颗粒的个体性质和凝聚态物质的集体效应.颗粒与颗粒之间以及颗粒与边界之间的细观尺度接触力链的构成以及演变规律将会直接影响各种宏观受力情况,其摩擦力与挤压力便是力链的主要构成形式.围绕着定量描述细观力链特征,从而揭示力的变化规律这一目标,采用计算机模拟的方法,依照球形颗粒Hertz法向接触理论和Mindlin-Deresiewicz切向接触理论,对重力作用下不同数目的三维等径球体颗粒层的推移情况进行了离散元仿真模拟,量化分析了推移力变化规律、各摩擦力变化规律以及力链分布规律,发现摩擦力与挤压力在颗粒堆积的不同阶段对力链的构成起到了不同的主次作用,使得力链发生强弱演变,从而发现了推移颗粒物质层时推移力的变化规律及原因.这些结果有利于从力链角度揭示颗粒内部和颗粒与各边界之间的受力情况.     

Influences of nanoparticles and chain length on thermodynamic and electrical behavior of fluorine liquid crystals

Hydrogen-bonded polar nematic liquid crystal series with the general formula nOBAF (n = 7—12) is studied. The mesomorphic characterization is demonstrated through differential scanning calorimetry (DSC) and polarized optical microscopy (POM). The complexes with short alkyl chains (n=7, 8) present a wide nematic range and monotropic smectic F mesophase, whereas the longer alkyl chain (n=10—12) analogues show high melting and low clearing mesomorphic liquid crystals. The thermal range of the mesophase and the birefringence increase with chain length decreasing. Furthermore, the effect of the nanoparticles (LiNbO₃) on the thermal and the electrical behavior of 8OBAF are investigated. The presence of LiNbO₃ nanoparticles increases the conductivity and reduces the resistivity of the complex.     

Lower bound for the ratios of eigenvalues of Schrödinger with nonpositive single‐barrier potentials

Horváth and Kiss (Proc. Amer. Math. Soc., 2005) proved the upper bound estimate for Dirichlet eigenvalue ratios of the Schrödinger problem ?y^′′ + q(x)y = λy with nonnegative and single‐well potential q. In this paper, we prove that if q(x) is a nonpositive, continuous, and single‐barrier potential, then for λ_n > λ_m≥ ? 2q^?, where . In particular, if q(x) satisfies the additional condition , then λ₁ > 0 and for n > m ≥ 1. For this result, we develop a new approach to study the monotonicity of the modified Prüfer angle function.     

Impact of Geometric Parameters,Charge, and Lipophilicity on Bioactivity of Armed Quinoxaline,Benzothiaole, and Benzothiazine: Pom Analyses of Antibacterial and Antifungal Activity

Abstract

A series of four different armed heterocyclic candidates; 1-(2-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetone (2), 1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethanone (3), 2-[(2-aminophenyl)dithio]aniline (4), and 3-hydroxy-3-methyl-4-(3-methyl-2-quinoxalinyl)-2-butanone (5) have been prepared and their microbial activities were evaluated. A correlation of the structure and activities relationships of these compounds with respect to molecular modeling, Lipinski Rule of Five, drug likeness, toxicity profiles, and other physico-chemical properties of drugs are described and verified experimentally.     

Melting of pentaerythritol tetranitrate (PETN) nanoconfined in controlled pore glasses (CPG)

The melting temperature depression of pentaerythritol tetranitrate, nanoconfined in controlled pore glasses (CPG), was systematically studied by differential scanning calorimetry (DSC). The solid–liquid interfacial energy σ _sl was obtained from the Gibbs–Thomson equation fit to melting temperature vs. reciprocal pore diameter. The pore size distribution of the CPG pores was also estimated from the DSC data. Pore sizes obtained from the manufacturer by BET are compared with those determined from the DSC curves using either the curves directly or by assuming spherical shaped confining cavities. The thermal mass vales are in better agreement with the BET estimation.     

Acid-Promoted Oxygen-Atom Transfer from a Novel Dihydroisoquinoline-Derived Oxaziridine Substituted at Position 1

N-Alkyl-oxaziridines react in the presence of a nucleophile as an oxygenating agent; in the absence of a nucleophile, an isomerization reaction is observed. This study describes the synthesis of two new dihydroisoquinoline oxaziridines and their reactivity in an acid-promoted reaction in the presence and absence of sulfides.     

γ-Keto Esters and γ-Butyrolactones From the Reaction of Dialkoxydihydrofurans With Trimethylsilyl Iodide

Dimethoxydihydrofurans are converted into γ-keto esters and γ-butyrolactones by a new procedure using an equimolar quantity and an excess of trimethylsilyl iodide, respectively.     

A Facile Ester Homologation of Carbonyl Compounds Via Ketene-O,S-Acetals

A usefull extension of the available methods for the conversion of carbonyl compounds into ketene-O,S-acetals^1,2,3 has been found in the Peterson olefination with methoxyphenylthiotrimethylsilyl-methyllithium 1 of aldehydes and ketones. The starting material for this reagent 1 was prepared by reaction of methoxyphenylthio-methyllithium^4,5 with chlorotrimethylsilane at -80°C in THF. Deprotonation of the obtained methoxyphenylthiotrimethylsilyl-methane with n-butyllithium at -80°C in THF gave 1 and subsequent addition of the carbonyl compound at -80°C gave mixtures of Z and E ketene-O,S-acetals 2.     

Application of a Chitosan-Immobilized Talaromyces thermophilus Lipase to a Batch Biodiesel Production from Waste Frying Oils

Waste frying oil, which not only harms people’s health but also causes environmental pollution, can be a good alternative to partially substitute petroleum diesel through transesterification reaction. This oil contained 8.8 % of free fatty acids, which cause a problem in a base-catalyzed process. In this study, synthesis of biodiesel was efficiently catalyzed by the covalently immobilized Talaromyces thermophilus lipase and allowed bioconversion yield up to 92 % after 24 h of reaction time. The optimal molar ratio was four to six parts of methanol to one part of oil with a biocatalyst loaded of 25 wt.% of oil. Further, experiments revealed that T. thermophilus lipase, immobilized by a multipoint covalent liaison onto activated chitosan via a short spacer (glutaraldehyde), was sufficiently tolerant to methanol. In fact, using the stepwise addition of methanol, no significant difference was observed from the one-step whole addition at the start of reaction. The batch biodiesel synthesis was performed in a fixed bed reactor with a lipase loaded of 10 g. The bioconversion yield of 98 % was attained after a 5-h reaction time. The bioreactor was operated successfully for almost 150 h without any changes in the initial conversion yield. Most of the chemical and physical properties of the produced biodiesel meet the European and USA standard specifications of biodiesel fuels.     

Inhibition effect of horehound (Marrubium vulgare L.) extract towards C38 steel corrosion in HCl solution

The corrosion inhibition properties of horehound (Marrubium vulgare L.) extract (HE) in 1 M hydrochloric acid medium was carried out using electrochemical methods (polarization curve and electrochemical impedance spectroscopy). Experiments were performed by concentration of the inhibitor and temperature effect. The results showed variation in inhibition performance of this plant extract. The Langmuir model was tested to describe the adsorption behavior of the inhibitor on the C38 steel surface. Some thermodynamic functions of dissolution processes were also determined.