不同温度下氨基酸在α-咖啡碱水溶液中的体积、粘度及折光率特性

Measurements of density(ρ), viscosity(η), and refractive index(n), were carried out on α-amino acids, DL-solution at 298.15, 303.15, 308.15, and 313.15 K. These measurements have been carried out to evaluate some important parameters, viz., apparent molar volume (φv), partial molar volume (φv0), transfer volume (φ0v (tr)), viscosity A and B coefficients of Jones-Dole equation, free energies of activation per mole of solvent (△μ0#1) and solute (△μ0#2),enthalpies (△H*) and entropies (△S*) of activation of viscous flow, variation of B with temperature ((a)B/(a)T)P, and molar refractive index (RD). These parameters have been interpreted in terms of solute-solute and solute-solvent interactions and structure making/breaking ability of solutes in the given solution.     

ON THE STRUCTURE OF STEADY FLOW THROUGH DUAL-INTAKE ENGINE PORTS

The influence of intake port design on the flow field in a dual-intake valve engine was investigated using computational fluid dynamics, in order to study the effect of inlet port design on the in-cylinder flow. A detailed 3D computational grid incorporating all the features of the Ford Zetec production engine inlet ports, valves and cylinder head was initially created and the flow structure modelled at 5 and 10 mm valve lifts under steady flow conditions. Comparisons of computational results with experimental data obtained by laser Doppler anemometry indicate that the flow characteristics have been predicted well in most regions. Flow generated by different intake port designs was also simulated by introducing air into the cylinder at different directions to the inlet valve axes and the effects of port deactivation, throttling and exhaust gas recirculation were examined. The implications of the results for intake port design are discussed.     

有毒难降解有机污染物的光催化降解

有毒难降解有机污染物的光催化降解在原理、过程和效率等方面仍然存在着巨大的挑战,特别是光催化剂的构效关系、可见光的利用、分子氧的活化和污染物分子矿化分解的机理仍然是今后的研究热点.本文就近年来在半导体光催化和负载型铁离子光催化降解有毒有机污染物的两个重要方面的研究进展进行了评述.     

Density, Viscosity, Refractive Index, and Speed of Sound in Binary Mixtures of Pyridine and 1-Alkanols (C6, C7, C8, C10) at 303.15 K

The densities (ρ), viscosities (η), refractive indices (nD), and speeds of sound (u), of binary mixtures of pyridine with 1-hexanol, 1-heptanol, 1-octanol and 1-decanol, including those of pure liquids, were measured over the entire composition range at 303.15 K and atmospheric pressure. From these experimental data, the values of excess molar volumes (VE), deviations in isentropic compressibilities (Δks), viscosities (Δh), molar refractions (ΔRm), apparent and partial molar volumes (Vf,2 and ), apparent and partial molar compressibilities (Kf,2 and ), of alkanols in pyridine and their corresponding deviations (ΔV and ΔK) were calculated. The variations of these parameters with composition of the mixtures suggest that the strength of interactions in these mixtures follow the order: 1-hexanol＞1-heptanol＞1-octanol＞1-decanol. All the excess and deviation functions were fitted to Redlich-Kister polynomial equation to determine the fitting coefficients and the standard deviations.     

Synthesis,Crystal Structure and Spectroscopic Properties of 1,2-Benzothiazine Derivatives:An Experimental and DFT Study

1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time.     

不同温度下α-氨基酸在咖啡碱水溶液中的体积、粘度及折光率特性

Measurements of density(ρ), viscosity(η), and refractive index(n), were carried out on α-amino acids, DL-solution at 298.15, 303.15, 308.15, and 313.15 K. These measurements have been carried out to evaluate some important parameters, viz., apparent molar volume (φv), partial molar volume (φv0), transfer volume (φ0v (tr)), viscosity A and B coefficients of Jones-Dole equation, free energies of activation per mole of solvent (△μ0#1) and solute (△μ0#2),enthalpies (△H*) and entropies (△S*) of activation of viscous flow, variation of B with temperature ((a)B/(a)T)P, and molar refractive index (RD). These parameters have been interpreted in terms of solute-solute and solute-solvent interactions and structure making/breaking ability of solutes in the given solution.     

Volumetric,Viscometric and Refractive Index Behaviors of α-Amino Acids in Aqueous Caffeine Solution at Varying Temperatures

Inrecentyears,attemptshavebeenmadetostudythephysico- chemicalbehaviorofaminoacidsinaqueous[1]aswellasaqueous- electrolyte[2], carbohydrate[3], and surfactant[4] media. Amino acids (AAs) are the basic components of proteins and are considered to be one of …     

Transient mixed convection flow arising due to thermal and mass diffusion over porous sensor surface inside squeezing horizontal channel

The double diffusion effect on the mixed convection flow over a horizontal porous sensor surface placed inside a horizontal channel is analyzed.With the appropriate transformations,the unsteady equations governing the flow are reduced to non-similar boundary layer equations which are solved numerically for the time-dependent mixed convection parameter.The asymptotic solutions are obtained for small and large values of the time-dependent mixed convection parameter.The results are discussed in terms of the skin friction,the heat transfer coefficient,the mass transfer coefficient,and the velocity,temperature,and concentration profiles for different values of the Prandtl number,the Schmidt number,the squeezing index,and the mixed convection parameter.     

Fluid-solid coupling model for studying wellbore instability in drilling of gas hydrate bearing sediments

As the oil or gas exploration and development activities in deep and ultra- deep waters become more and more, encountering gas hydrate bearing sediments （HBS） is almost inevitable. The variation in temperature and pressure can destabilize gas hydrate in nearby formation around the borehole, which may reduce the strength of the formation and result in wellbore instability. A non-isothermal, transient, two-phase, and fluid-solid coupling mathematical model is proposed to simulate the complex stability performance of a wellbore drilled in HBS. In the model, the phase transition of hydrate dissociation, the heat exchange between drilling fluid and formation, the change of mechanical and petrophysical properties, the gas-water two-phase seepage, and its interaction with rock deformation are considered. A finite element simulator is developed, and the impact of drilling mud on wellbore instability in HBS is simulated. Results indicate that the re- duction in pressure and the increase in temperature of the drilling fluid can accelerate hydrate decomposition and lead to mechanical properties getting worse tremendously. The cohesion decreases by 25% when the hydrate totally dissociates in HBS. This easily causes the wellbore instability accordingly. In the first two hours after the formation is drilled, the regions of hydrate dissociation and wellbore instability extend quickly. Then, with the soaking time of drilling fluid increasing, the regions enlarge little. Choosing the low temperature drilling fluid and increasing the drilling mud pressure appropriately can benefit the wellbore stability of HBS. The established model turns out to be an efficient tool in numerical studies of the hydrate dissociation behavior and wellbore stability of HBS.