Thermodynamic Properties of Ternary Ionic Liquid Mixture Containing a Common Ion: Excess Molar Volumes,Excess Isentropic Compressibilities,Excess Molar Enthalpies and Excess Heat Capacities

In the present investigations, the excess molar volumes, \( V_{ijk}^{\text{E}} \), excess isentropic compressibilities, \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), and excess heat capacities, \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \), for ternary 1-butyl-2,3-dimethylimidazolium tetrafluoroborate (i) + 1-butyl-3-methylimidazolium tetrafluoroborate (j) + 1-ethyl-3-methylimidazolium tetrafluoroborate (k) mixture at (293.15, 298.15, 303.15 and 308.15) K and excess molar enthalpies, \( \left( {H^{\text{E}} } \right)_{ijk} \), of the same mixture at 298.15 K have been determined over entire composition range of x _i and x _j . Satisfactorily corrections for the excess properties \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) have been obtained by fitting with the Redlich–Kister equation, and ternary adjustable parameters along with standard errors have also been estimated. The \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) data have been further analyzed in terms of Graph Theory that deals with the topology of the molecules. It has also been observed that Graph Theory describes well \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) values of the ternary mixture comprised of ionic liquids.     

Band structural properties of MoS2 (molybdenite)

Semiconductivity and superconductivity in MoS₂ (molybdenite) can be understood in terms of the band structure of MoS₂. We present here the band structural properties of MoS₂. The energy dependence of n_eff and ε_xeff is investigated. Using calculated values of n_eff and ε_xeff, the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of $\text{E}{}_{\mathrm{G}}\text{[}\text{(?E}{}_{\mathrm{G}}\text{?T)}{}_{\mathrm{P}}\text{]}$, which are in agreement with the experimental data, and the contribution to $\text{(}\text{?E}{}_{\mathrm{G}}\text{?T)}{}_{\mathrm{P}}$ due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation.     

Processability characteristics of chlorinated poly(vinyl chloride)

Chlorinated poly(vinyl chloride) (CPVC) is known to have a higher softening temperature than conventional poly(vinyl chloride) (PVC). Its processability characteristics are, however, different; it has been reported that CPVC is more difficult to process. However, only limited information on the processability characteristics is available. This paper describes some studies of the flow behavior of CPVC melts in a capillary rheometer. The true melt viscosity and activation energy were determined between 190° and 210°C for a number of samples, and they appear to be related to the cohesive energy density of the samples. It was observed that melt fracture, i.e., gross distortion of the extrudate, occurs even at low shear rates in samples having a high chlorine content. This has been attributed to the relatively high pressures that have to be used, the pronounced non-Newtonian nature of the melt, and melt elasticity. It is postulated that melt elasticity could result from crosslinking at the site of the double bond which is known to be formed by dehydrochlorination.     

Numerical simulation of low loss silicon photonic wire waveguide with multiple cladding layers

A different silicon photonic wire waveguide is proposed, which uses multiple thin cladding layers in order to reduce the index contrast between core and cladding interface. The reduced index contrast in the proposed waveguide has led to reduction in the scattering losses by 37% as compared to silicon wire waveguide for 400 nm × 220 nm waveguide dimension. The proposed waveguide has shown significant reduction in bending losses. It offers the bending loss of 0.0118 dB at the radius of 1 μm and 0.0063 dB for a radius of 2 μm at 1.55 μm wavelength as compared to 0.086 and 0.013 dB at the radius of 1 and 2 μm, respectively, offered by silicon photonic wire waveguide at 1.5 μm wavelength. The use of polymer material as top cladding layer resulted in decreasing the sensitivity of effective index against temperature for the designed waveguide by a factor of 2 as compared to silicon wire waveguide.     

Prediction of Henry's constants of xenon in cyclo-alkanes from molecular dynamics simulations

Using the molecular dynamics (MD) method, we demonstrate that intermolecular nuclear magnetic resonance (NMR) chemical shifts can be used to evaluate and develop intermolecular potentials for cross-interactions for use in solubility studies. The calculation of chemical shifts in MD is an order of magnitude more efficient than solubilities, which makes it an attractive tool for fine-tuning potential models. We examine the average Xe chemical shifts in cyclo-alkanes over a range of temperatures to develop a suitable potential model for the cross-interactions between Xe and a series of cyclo-alkanes. Our results clearly demonstrate that potential models that show better agreement with experiments for chemical shift, invariably lead to better agreement with experiment for Henry's constant and solubility of gases in solvents.     

Interfacial regions governing internal cavities of dendrimers. Studies of poly(alkyl aryl ether) dendrimers constituted with linkers of varying alkyl chain length

This report deals with a study of the properties of internal cavities of dendritic macromolecules that are capable of encapsulating and mediating photoreactions of guest molecules. The internal cavity structures of dendrimers are determined by the interfacial regions between the aqueous exterior and hydrocarbon like interior constituted by the linkers that connect symmetrically sited branch points constituting the dendrimer and head groups that cap the dendrimers. Phloroglucinol-based poly(alkyl aryl ether) dendrimers constituted with a homologous series of alkyl linkers were undertaken for the current study. Twelve dendrimers within first, second, and third generations, having ethyl, n-propyl, n-butyl, and n-pentyl groups as the linkers and hydroxyl groups at peripheries in each generation, were synthesized. Encapsulation of pyrene and coumarins by aqueous basic solutions of dendrimers were monitored by UV-vis and fluorescence spectroscopies, which showed that a lower generation dendrimer with an optimal alkyl linker presented better encapsulation abilities than a higher generation dendrimer. Norrish type I photoreaction of dibenzyl ketone was carried out within the above series of dendrimers to probe their abilities to hold guests and reactive intermediate radical pairs within themselves. The extent of cage effect from the series of third generation dendrimers was observed to be higher with dendrimers having an n-pentyl group as the linker.     

不规则单斜地层中磁弹性剪切波的色散方程

在内夹磁弹性单斜地层中,下界面不规则变化时,研究水平偏振剪切波的传播,该地层夹在两个半无限磁弹性单斜介质之间,得到了闭式的色散方程.不计磁场及介质界面的不规则性,该色散方程与三层介质中经典方程相一致.图示了磁场和界面不规则深度对相速度的影响.     

Analysis of finite capacity discrete-time <Emphasis Type="Italic">GI</Emphasis>/<Emphasis Type="Italic">Geo</Emphasis>/1 queueing system with multiple vacations

This paper investigates a discrete-time single-server finite-buffer queueing system with multiple vacations in which arrivals occur according to a discrete-time renewal process. Service and vacation times are mutually independent and geometrically distributed. We obtain steady-state system length distributions at prearrival, arbitrary and outside observer's observation epochs under the late arrival system with delayed access and early arrival system. The analysis of actual waiting-time for both the systems has also been carried out. The model has potential application in high-speed computer network, digital communication systems and other related areas.     

Towards a queueing-based framework for in-network function computation

We seek to develop network algorithms for function computation in sensor networks. Specifically, we want dynamic joint aggregation, routing, and scheduling algorithms that have analytically provable performance benefits due to in-network computation as compared to simple data forwarding. To this end, we define a class of functions, the Fully-Multiplexible functions, which includes several functions such as parity, MAX, and kth-order statistics. For such functions we characterize the maximum achievable refresh rate of the network in terms of an underlying graph primitive, the min-mincut. In acyclic wireline networks we show that the maximum refresh rate is achievable by a simple algorithm that is dynamic, distributed, and only dependent on local information. In the case of wireless networks we provide a MaxWeight-like algorithm with dynamic flow-splitting, which is shown to be throughput-optimal.