Computational and experimental study of oxygen-enhanced axisymmetric laminar methane flames

Three axisymmetric laminar coflow diffusion flames, one of which is a nitrogen-diluted methane/air flame (the ‘base case’) and the other two of which consist of nitrogen-diluted methane vs. pure oxygen, are examined both computationally and experimentally. Computationally, the local rectangular refinement method is used to solve the fully coupled nonlinear conservation equations on solution-adaptive grids. The model includes C2 chemistry (GRI 2.11 and GRI 3.0 chemical mechanisms), detailed transport, and optically thin radiation. Because two of the flames are attached to the burner, thermal boundary conditions at the burner surface are constructed from smoothed functional fits to temperature measurements. Experimentally, Raman scattering is used to measure temperature and major species concentrations as functions of the radial coordinate at various axial positions. As compared to the base case flame, which is lifted, the two oxygen-enhanced flames are shorter, hotter, and attached to the burner. Computational and experimental flame lengths show excellent agreement, as do the maximum centreline temperatures. For each flame, radial profiles of temperature and major species also show excellent agreement between computations and experiments, when plotted at fixed values of a dimensionless axial coordinate. Computational results indicate peak NO levels in the oxygen-enhanced flames to be very high. The majority of the NO in these flames is shown to be produced via the thermal route, whereas prompt NO dominates for the base case flame.     

圆形中空夹层钢管超高性能钢纤维混凝土柱抗爆性能野外实验与数值模拟

通过6根圆形中空夹层钢管超高性能钢纤维混凝土(UHPSFRCFDST)柱爆炸破坏实验,研究了轴压、折合距离、空心率和迎爆面形状对其动态响应及损伤破坏的影响,并运用LS-DYNA软件建立了爆炸荷载作用下UHPSFRCFDST柱动态响应的有限元模型。在验证了模型有效性的基础上,运用参数化分析方法,研究了轴压比、空心率、含钢率、内层和外层钢管径厚比及其强度等关键参数对圆形UHPSFRCFDST柱抗爆性能的影响。结果表明:有限元模型能够有效地分析UHPSFRCFDST柱在爆炸荷载作用下的动态响应及损伤破坏;在小于临界轴压时,提高轴压比能够提升UHPSFRCFDST柱抗爆性能,但超过临界轴压后继续提高反而会加重其损伤破坏;减小空心率或内、外层钢管径厚比均可有效提升UHPSFRCFDST柱的抗爆性能,提高含钢率或外层钢管强度也能达到相同效果,但提高内层钢管强度对其抗爆性能的提升作用并不显著。     

Prion疾病与生物无机化学

介绍了除病菌、病毒以外的第三种病原体－－病蛋白Ｐｒｉｏｎ。这种病原蛋白的本质是正常蛋白的异常折叠,因此又被称为蛋白分子的“构象病”。还介绍了这种病蛋白的可能致病机理。铜离子对这种病蛋白生成的重要作用,充分显示了生物无机化学这门新兴学科的重要性和前沿性。     

在非离子表面活性剂存在下邻羧基苯基重氮氨基偶氮苯吸光光度法测定微量银

提出了一种测定微量银的吸光光度分析新方法。于硼砂-氢氧化钠缓冲溶液中(pH 10.5～11.0),在乳化剂OP存在下,Ag(Ⅰ)与邻羧基苯基重氮氨基偶氮苯(OCDAA)形成1:3稳定的红色配合物,其λ_(max)=540nm,对比度△λ=126nm,表观摩尔吸光系数ε_(540)=8.2×10~4。而在pH 10.0～10.6的相同缓冲溶液中,改用Triton X-100,且加入三乙醇胺后,配合物的λ_(max)=546nm,△λ=136nm,ε_(546)=9.9×104。两种显色体系均在Ag(Ⅰ)0～12μg/25ml范围内服从比耳定律。研究了显色反应条件和共存离子的影响。在试液中加入浓硫酸后加热处理和EDTA的掩蔽作用下,方法用于定影液的分析,六次测定的相对标准偏差为2.3％,平均回收率为98.3％。     

MSAID: multiple sequence alignment based on a measure of information discrepancy

We propose an algorithm of global multiple sequence alignment that is based on a measure of what we call information discrepancy. The algorithm follows a progressive alignment iteration strategy that makes use of what we call a function of degree of disagreement (FDOD). MSAID begins with distance calculation of pairwise sequences, based on FDOD as a numerical scoring measure. In the next step, the resulting distance matrix is used to construct a guide tree via the neighbor-joining method. The tree is then used to produce a multiple alignment. Current alignment is next used to produce a new matrix and a new tree (with FDOD scoring measure again). This iterative process continues until convergence criteria (or a stopping rule) are satisfied. MSAID was tested and compared with other prior methods by using reference alignments from BAliBASE 2.01. For the alignments with no large N/C-terminal extensions or internal insertions MSAID received the top overall average in the tests. Moreover, the results of testing indicate that MSAID performs as well as other alignment methods with an occasional tendency to perform better than these prior techniques. We, therefore, believe that MSAID is a solid and reliable method of choice, which is often (if not always) superior to other global alignment techniques.     

Palladium-catalyzed three-component arylcyanation of internal alkynes with aryl bromides and K4[Fe(CN)6

The one-pot, palladium-catalyzed, three-component coupling of aryl bromides, internal alkynes, and environmentally friendly K4[Fe(CN)6] provides an efficient and direct method for the preparation of beta-arylalkenylnitriles.     

Preparation of mesoporous CexCoO as highly effective catalysts for toluene combustion: The synergetic effects of structural template and Ce doping

Cobalt‐based catalyst, as a typical catalyst for volatile organic compounds (VOCs) combustion, has attracted extensive attention. However, the catalytic activity of pure Co₃O₄ is difficult to meet the requirements of practical application especially at low temperatures. Therefore, it is key to find an effective way to improve the catalytic performance of Co₃O₄. In this paper, Co₃O₄ is modified by engineering a combination of structural template and Ce dopant. The various characterization results verify that the template agent and the doping of appropriate Ce lead to great changes in the texture property and low temperature reducibility of Co₃O₄, thus resulting in superior catalytic performances of obtained mesoporous Ce_xCoO catalysts. In particular, the best catalyst, Ce_0.05CoO, achieves a toluene conversion of T_90% at 238°C, which is significantly lower than many of the Co‐based catalysts reported in previous literatures. Furthermore, the toluene conversion rate maintains above 90% during 100 h at 238°C. The excellent catalytic performance of Ce_0.05CoO can be attributed to its large specific surface area, uniform pore structure, good low temperature reducibility, and abundant surface oxygen species.     

Improved catalytic activity and N2 selectivity of Fe–Mn–O x catalyst for selective catalytic reduction of NO by NH3 at low temperature

Research on Chemical Intermediates - FeO x , MnO x and Fe–Mn–O x catalysts were prepared by the co-precipitation method and used for the selective catalytic reduction (SCR) of NO x by...     

流体饱和弹性半空间裂隙对平面P_I波的衍射

采用间接边界元法,求解了饱和半空间裂隙对平面PI波的二维衍射问题。基于单层位势理论,将边界离散并直接在边界单元上施加虚拟荷载(水平作用力、竖向作用力和流量源的叠加)以构造散射波场,并由边界条件确定虚拟荷载密度,总波场由自由波场和散射波场共同组成。通过参数分析研究了入射波频率、入射倾角、埋深、孔隙率、边界渗透条件等因素对饱和半空间中裂隙对平面PI波衍射的影响规律。结果表明:裂隙随埋深增大,地表位移谱振荡加剧,峰值有所降低;随着入射频率增加,孔隙率影响逐渐增大;垂直入射时,水平位移的放大区域主要分布在裂隙两端,斜入射时,主要集中在裂隙正上方地表附近;透水和不透水两种情况下的地表位移幅值和相位差别较小,但干土情况与饱和情况下的位移幅值相差较大。