Atomistic packing models for experimentally investigated swelling states induced by CO2 in glassy polysulfone and poly(ether sulfone)

Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO₂ gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006     

Surface free energy of CrNx films deposited using closed field unbalanced magnetron sputtering

CrN_x thin films have attracted much attention for semiconductor IC packaging molding dies and forming tools due to their excellent hardness, thermal stability and non-sticking properties (low surface free energy). However, few data has been published on the surface free energy (SFE) of CrN_x films at temperatures in the range 20-170 °C. In this study CrN_x thin films with CrN, Cr(N), Cr₂N (and mixture of these phases) were prepared using closed field unbalanced magnetron sputtering at a wide range of Cr⁺² emission intensity. The contact angles of water, di-iodomethane and ethylene glycol on the coated surfaces were measured at temperatures in the range 20-170 °C using a Dataphysics OCA-20 contact angle analyzer. The surface free energy of the CrN_x films and their components (e.g., dispersion, polar) were calculated using the Owens-Wendt geometric mean approach. The influences of CrN_x film surface roughness and microstructure on the surface free energy were investigated by atomic force microscopy (AFM) and X-ray diffraction (XRD), respectively. The experimental results showed that the lowest total SFE was obtained corresponding to CrN at temperature in 20 °C. This is lower than that of Cr(N), Cr₂N (and mixture of these phases). The total SFE, dispersive SFE and polar SFE of CrN_x films decreased with increasing surface temperature. The film roughness has an obvious effect on the SFE and there is tendency for the SFE to increase with increasing film surface roughness.     

On uniformly Gâteaux smooth norms and normal structure

It is shown that every separable Banach space admits an equivalent norm that is uniformly Gâteaux smooth and yet lacks asymptotic normal structure.

     

Moderate and Small Deviations for the Ranges of One-Dimensional Random Walks

We establish moderate and small deviations for the ranges of integer valued random walks. Our theorems apply to the limsup and the liminf laws of the iterated logarithm. We establish moderate and small deviations for the ranges of integer valued random walks. Our theorems apply to the limsup and the liminf laws of the iterated logarithm.     

A mathematical model of the ring-spinning process

This paper develops a mathematical model of the ring-spinning process that takes into account its non-stationary nature. A complex system of differential equations is obtained, which from a mathematical point of view constitutes a ‘free-boundary’ problem. Its solution involves definition of suitable boundary conditions related to the mechanical characteristics of the process and of the spinning machine itself. The boundary conditions which determine the solution are pointed out. A numerical solution of the system of differential equations can be obtained by the Finite-Segments method, as shown in an example.     

The effect of crystallinity on chain mobility and free volume in the amorphous regions of a miscible polycarbonate/polyester blend

Homopolymers and blends of polycarbonate/ThermX have been investigated by differential scanning calorimetry, dynamic mechanical analysis, density measurements, and positron annihilation lifetime spectroscopy. The study focuses on the chain mobility and free volume in the amorphous miscible regions of the blends and how this mobility and free volume are affected by increasing crystallinity. It is proposed that judicious annealing, which results in increasing crystallinity (while avoiding ageing or transesterification), induces a constraint on the amorphous region leading to an increase in T_g and coalescence of free volume sites. © 1994 John Wiley & Sons, Inc.     

Equivariant mappings: a new approach in stochastic simulations

Stochastic simulations on manifolds usually are traced back to ⁿ via charts. If a group G is acting on a manifold M and if the respective distribution v is invariant under this group action then in many cases of practical interest there exists a more convenient approach which uses equivariant mappings. The concept of equivariant mappings will be discussed intensively at the instance of the Grassman manifold in which case G equals the orthogonal group. Further advantages of this concept will be demonstrated by applying it to a probabilistic problem from the field of combinatorial geometry.     

ASYMPTOTIC BEHAVIOUR OF THE SOLUTIONS OF A CERTAIN FOURTH-ORDER DIFFERENTIAL EQUATION

The present paper establishes sufficient conditions for the uniformly bounded of any solution of (1.1) and which tend to zero as t → ∞.     

Trichloroisocyanuric acid as a novel oxidizing agent for the oxidation of 1,3,5-trisubstituted pyrazolines under both heterogeneous and solvent free conditions

Trichloroisocyanuric acid is used as an effective oxidizing agent for the oxidation of 1,3,5-trisubstituted pyrazolines to their corresponding pyrazoles under both heterogeneous and also solvent free conditions with good yields at room temperature.     

水动力学问题的弱可压缩模型求解方法研究

从弱可压缩水动力学方程出发，采用坐标变换的方法处理自由表面，建立了能够模拟有自由表面流动问题的定常、非定常的三维水动力学模型和对流扩散模型，模型采用浮湍流模型进行封闭，并对模型求解的数值方法进行了研究。