Molecular dynamics simulations on the structures and properties of ε-CL-20-based PBXs ——Primary theoretical studies on HEDM formulation design

Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.     

Physical properties and phase separation structure of Antheraea pernyi/Bombyx mori silk fibroin blend films

The physical structure and compatibility of solution-cast Antheraea pernyi/Bombyx mori silk fibroin blend films were stuided by differential scanning calorimetry (DSC), thermomechanical (TMA) and thermogravimetric (TGA) analysis, dynamic viscoelastic measurement, infrared spectroscopy, and x-ray diffractometry. The DSC curves of the blend films showed independent endotherms at 280 and 358°C, corresponding to the thermal decomposition of B. mori and A. pernyi silk fibroins with random coil conformation. The intensity was roughly proportionate to the amount of each component in the blend. The thermal behavior corresponding to the conformational transitions induced by heating on A. pernyi and B. mori silk fibroins overlapped in the temperature range 190–230°C. Thermal expansion and contraction properties, as well as weight retention behavior of the blend films were intermediate between the pure components, as shown by the TMA and TGA curves. The onset temperature of the storage modulus curve decreased markedly, approaching that of B. mori silk fibroin film when the amount of this component in the blend increased. The loss modulus curve of the blend films showed two peaks at ca. 190 and 210°C, the former corresponding to B. mori, and the latter to A. pernyi silk fibroin. Infrared spectra of the blends exhibited absorption bands characteristic of the pure components overlapping in the spectral region 2000–400 cm^?1. The x-ray diffraction peaks at 23 and 21.5°, attributed to the crystalline spacings of A. pernyi and B. mori fibroins, respectively, overlapped in the diffraction curves of the blends, while the peak at 11.4°, of A. pernyi, increased as the content of this fibroin in the blend increased. The degree of crystallinity, calculated from the x-ray diffraction curves, diminished as the amount of B. mori silk fibroin decreased. A low degree of compatibility exists between the two fibroins when they are cast from aqueous solution in the experimental conditions adopted in this work. © 1994 John Wiley & Sons, Inc.     

Calculation of impulsively started incompressible viscous flows

The paper's focus is the calculation of unsteady incompressible 2D flows past airfoils. In the framework of the primitive variable Navier–Stokes equations, the initial and boundary conditions must be assigned so as to be compatible, to assure the correct prediction of the flow evolution. This requirement, typical of all incompressible flows, viscous or inviscid, is often violated when modelling the flow past immersed bodies impulsively started from rest. Its fulfillment can however be restored by means of a procedure enforcing compatibility, consisting in a pre‐processing of the initial velocity field, here described in detail. Numerical solutions for an impulsively started multiple airfoil have been obtained using a finite element incremental projection method. The spatial discretization chosen for the velocity and pressure are of different order to satisfy the inf–sup condition and obtain a smooth pressure field. Results are provided to illustrate the effect of employing or not the compatibility procedure, and are found in good agreement with those obtained with a non‐primitive variable solver. In addition, we introduce a post‐processing procedure to evaluate an alternative pressure field which is found to be more accurate than the one resulting from the projection method. This is achieved by considering an appropriate ‘unsplit’ version of the momentum equation, where the velocity solution of the projection method is substituted. Copyright © 2004 John Wiley & Sons, Ltd.     

ITSTUDIES ON THE EFFECT OF UREA ON THE COMPATIBILITY OF PMMA/PVC MIXTURES IN DMF BY A DILUTE- SOLUTION VISCOMETRY METHOD

The interaction between poly(methymethacrylate) (PMMA) and poly(vinyl chloride) (PVC) has been studied indilute urea solutions of dimethylformamide (DMF) at 28℃ using a dilute solution viscometry method. The results show thatthe polymer mixtures are compatible in DMF solution in the absence of urea. The influence of urea addition on the degree ofcompatibility of the polymer mixtures has been studied in terms of the compatibility parameters (△b_m and △[η]_m). It wasfound that the compatibility of the polymer mixtures is decreased with increasing urea addition, passing through a minimumat 0.5 M urea.     

Physicochemical compatibility of SrCeO3 with potential SOFC cathodes

The chemical and physical compatibility of SrCeO₃ is investigated with respect to LaMO₃ (M=Mn, Fe, Co) and La_2−xSr_xNiO₄ (x=0, 0.8), via the reaction of fine-grained powder compacts and solid-state diffusion couples. Compositions were chosen so as to give predictive insight into possible candidate materials for all-oxide electrochemical devices. Results show the primary reaction in these systems to be the dissolution of SrO from SrCeO₃ into the LaMO₃/La_2−xSr_xNiO₄, and corresponding formation of La-doped CeO₂. Reaction kinetics are observed to be relatively fast, with element profiles suggesting the diffusion of Sr²⁺ in ceria to be surprisingly rapid. It is demonstrated that perovskite starting materials represent poor candidates for use with SrCeO₃, reacting completely to form Ruddlesden-Popper/K₂NiF₄ type oxides. Reaction with La₂NiO₄ is less pronounced, and formation of secondary phases suppressed for the composition La_1.2Sr_0.8NiO₄. It is thus concluded that Ruddlesden-Popper type oxides represent good candidate materials for use with a SrCeO₃-based electrolytes when doped with appropriate levels of Sr.     

聚氯乙烯—丁腈橡胶—氯丁橡胶三元共混物的研究

测定了聚氯乙烯（ＰＶＣ）－丁脯橡胶（ＮＢＲ－２９）－氯丁橡胶（ＣＲ）三元共混物的冲击性能和应力－应变行为，用动态力分析、扫描电和透射电镜研究了共混物的相容性和形态结构。结果表明，ＮＢＲ－２９对ＰＶＣ，ＣＲ有良好的增容作用，三元共混物是部分相容的二相体系，具有良好的抗冲击性能。     

Thermoanalytical study of glibenclamide and excipients

Summary Taking into account the problems of desertification and agricultural practices able to provide income to the population at the semi-arid region of North-East Brazil, this work presents the results of the chemical and thermal characterization by TG and DSC of the seed derivatives of Cnidoscolus quercifolius, hereinafter called faveleira, aiming at the application of these materials as an alternative of food source for animals and for the human population at this region. The faveleira seed derivatives present thermodynamic properties similar to the ones of other foods utilized for human use, as well as an acceptable calorific value. According to TG and DSC results, was verified that the faveleira derivatives presents good thermal and oxidative stabilities.     

高密度燃料HDF-1与橡胶的相容性研究

报道了在室温和70 ℃下橡胶材料G402氟硅胶、丁腈胶5171、丁腈胶4170、贮囊橡胶用合成的高密度燃料HDF-1浸泡后性能如伸长率、邵尔硬度、重量、面积体积的变化，并与采用3号喷气燃料（RP-3）实验结果进行对照。用红外光谱测定了燃料浸泡前后橡胶组成的变化。实验结果表明，G402氟硅胶和贮囊对于HDF-1和RP-3有相近的相容性，丁腈胶5171对HDF-1的相容性比对RP-3的相容性稍差，丁腈胶4170对HDF-1的相容性比对RP-3的相容性更差的结果。因此，丁腈胶5171和丁腈胶4170不能用于HDF-1储存和输送，原使用RP-3系统的橡胶密封件不能直接使用HDF-1。