Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range

An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.

Performance-based passive control analysis of adjacent structures:Optimization of Maxwell dampers

The performance-based passive control analysis of the Maxwell dampers between one 10-story and one 6-story adjacent RC frames is conducted in this work.Not only the optimal parameters but also the optimal arrangements of the Maxwell dampers are proposed based on the optimal target of making the total exceeding probability of the adjacent structures to be minimal.The applicability of the analytical expressions of the Maxwell damper damping parameters under different seismic performance targets are firstly examined and then the preferable damping parameters of the Maxwell dampers are proposed through the extensive parametric studies.Furthermore,the optimal arranging positions and optimal arranging numbers of the Maxwell dampers between the adjacent buildings are derived based on a large number of seismic fragility analyses,as well.The general arranging laws of the Maxwell dampers between the adjacent buildings are generated based on the discussion of the theoretical method through the simplified plane model.The optimal parameters and optimal arrangement of the Maxwell dampers presented make both the adjacent structures have preferable controlled effects under each seismic performance target which can satisfy the requirements of multi-performance seismic resistance of the modern seismic codes.

A CFD Based Investigation of the Unsteady Hydrodynamic Coefficients of 3-D Fins in Viscous Flow

The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly unsteady, generating vortices and requiring detailed analysis of fluid-structure interactions.An understanding of the complexities of such flows is of interest to engineers developing vehicles capable of high dynamic performance in their propulsion and maneuvering.In the present study, a CFD based RANS simulation of a 3-D fin body moving in a viscous fluid was developed.It investigated hydrodynamic performance by evaluating the hydrodynamic coefficients (lift, drag and moment) at two different oscillating frequencies.A parametric analysis of the factors that affect the hydrodynamic performance of the fin body was done, along with a comparison of results from experiments.The results of the simulation were found in close agreement with experimental results and this validated the simulation as an effective tool for evaluation of the unsteady hydrodynamic coefficients of 3-D fins.This work can be further be used for analysis of the stability and maneuverability of fin actuated underwater vehicles.

Quantitative analysis of influence of α-Al(MnFeCr)Si dispersoids on hot deformation and microstructural evolution of Al-Mg-Si alloys

The microstructural evolution of AA6061 and Mn-bearing Al-Mg-Si-Cu alloys was studied by compression tests that were carried out between 300 and 500 °C with a wide range of strain rates. Compared to the AA6061 alloy, the large amount of α-Al(MnFeCr)Si dispersoids in the Mn-bearing alloy yielded a significant increase in the flow stress under all deformation conditions. The effects of the deformation parameters on the evolution of the microstructure were studied using electronic backscatter diffraction measurements. The predominant softening mechanism of both alloys was dynamic recovery. The presence of α dispersoids in Mn-bearing alloys effectively refined the size of substructures with misorientation angles in the range of 2°-5°, which retarded the dynamic recovery. To predict the subgrain size under various deformation conditions, the threshold stresses that were caused by α dispersoids were calculated by the modified Orowan equation and incorporated into a conventional constitutive equation. The subgrain size that was predicted by the modified constitutive equation showed satisfactory agreement with the experimental measurements.

Accurate Structure Parameters for Tunneling Ionization Rates of Gas-Phase Linear Molecules

In the molecular Ammosov–Delone–Krainov(MO-ADK) model of Tong et al. [Phys. Rev. A 66(2002)033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highest occupied molecular orbital(HOMO) for 123 gas-phase linear molecules by solving time-independent Schr¨odinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen–Baerends(LBα)model.

Reversible phase transition of the 1:1 complex between 18-crown-6 and n-propylammonium triiodide

Solid-state structure of the crystalline 1：1 complex [C3H10N（18-crown-6）]＋[I3] （1） between 18-crown-6 and n-propylammonium triiodide has been determined at 293 and 93 K, respectively, showing a change from monoclinic P21/m to monoclinic P21/a. Crystal structural analysis shows that in addition to van der Waals＇ forces, conventional N-H..-O hydrogen bonds are the key interactions. Measurements of unit cell parameters versus temperature show that the values of one of the three axes and the crystal volume change abruptly and remarkably at 220 K, indicating a first-order phase transition. The lack of the mirror plane in the low temperature structure is the most important differences between the two structural forms. Dif- ferential scanning calorimetry （DSC） measurement confirms that I undergoes a reversible phase transition at about 220 K with a thermal hysteresis of 3.5 K. The relatively large latent heat makes 1 a good candidate for phase change materials. The phase transition is accompanied by an anomaly of dielectric constant during heating and cooling process near the phase transition temperature.