Insights into the intrinsic interaction between series of C1 molecules and surface of NiO oxygen carriers involved in chemical looping processes

Understanding and modulating the interaction between various reactive molecules and oxygen carriers are the key issue to achieve process intensification of chemical looping technology. C1 chemical molecules play an important role in many reactions involved with chemical looping processes. However, up to now, there is still a lack of systematic and in-depth understanding of the adsorption mechanism of C1 molecules on the surface of oxygen carriers (OCs). In this work, the intrinsic interaction between a series of C1 molecules composed of CH₄, CO, CO₂, CH₃OH, HCHO and HCOOH and surface of NiO OCs in the chemical looping process have been studied using density functional theory calculations. Various adsorption configurations of C1 molecules and also different adsorption sites of NiO have been considered. The structural features of stable configuration of C1 molecules on the surface of NiO OCs have been obtained. Further, the interacted sites, types and strengths of C1 molecules on the surface of NiO have been directly pictured by the independent gradient model methods. Also, the nature of the interaction between C1 molecule and NiO surface has been investigated with the aid of energy decomposition analysis from a quantitative view.     

稳定的K-多均值聚类算法

指定K个聚类的多均值聚类算法在K-均值算法的基础上设置了多个次类,以改善K-均值算法在非凸数据集上的劣势,并将多均值聚类问题形式化为优化问题,可以得到更优的聚类效果。但是该算法对初始原型敏感,且随机选取原型的方式使聚类结果不稳定。针对上述问题,提出一种稳定的K-多均值聚类算法,并对该算法的复杂度与收敛性进行了简要讨论。该算法先基于数据样本的最邻近关系构造图,根据图的连通分支将数据分为若干组,取每组数据的均值点作为初始原型,再用交替迭代的方法对优化问题进行求解,得到最后的聚类结果。在人工数据集和真实数据集上的实验表明,该算法具有更稳定更优越的聚类效果。     

格蕴涵代数的软LI-理想

借助软集合,提出了格蕴涵代数的软LI-理想的概念,研究了软集运算下的一些诸如交、且等基本性质,并给出了格蕴涵代数的软LI-理想的一些等价刻画。此外,研究了格蕴涵代数的软LI-理想与格蕴涵代数的软格理想之间的关系。得到了格蕴涵代数的软LI-理想像与原像的性质。     

Ad hoc网络中基于节能的DSR路由算法改进

在Ad hoc中,DBF、DSDV、AODV,DSR等都是基于最小跳路由协议.从能量的角度来看,最短路由并不一定是最佳的路由.为此在DSR按需驱动路由基础上提出了一种新的基于动态优先因子的路由策略EDSR.在这种协议中,综合考虑能耗低,链路容量大的路由,从而较好地节省网络能量.     

牙周膜胶原纤维组织切片的显微图像配准

针对牙周膜胶原纤维组织切片在制作过程中对力度和方向非常敏感,极易造成组织变形和空间位移的问题,采用了一种有效的图像配准方法,以便后期对胶原纤维组织空间结构的重建。在Masson染色制成的兔牙周膜石蜡切片的基础上,利用高倍光学显微镜获得了牙周膜的序列切片图像;再采用基于正规步长梯度下降的二维刚性配准和基于对数域对称Demons微分同胚非刚性配准相结合的方法,对牙周膜序列切片图像进行级联配准。实验结果表明,相对于有限元非刚性配准而言,对数域对称Demons微分同胚非刚性配准方法具有较好的优势,其配准每张图片的平均时间为有限元法的3.1%,而配准均方误差平均为有限元法的89%。     

Undercooling and demixing of copper-based alloys

Since the beginning of materials science research under microgravity conditions immiscible alloys have been an interesting subject. New possibilities to investigate such systems are offered by containerless processing techniques. Of particular interest is the ternary system Cu-Fe-Co, and its limiting binaries, Cu-Co and Cu-Fe. They all show a metastable miscibility gap in the regime of the undercooled melt. Within the ESA-MAP project “CoolCop”, different aspects of this alloy have been investigated; results obtained so far are reported here.     

WO3/BiVO4 composite photoelectrode prepared by improved auto-combustion method for highly efficient water splitting

We report on the improvement in the water splitting efficiency of a WO₃/BiVO₄ composite photoelectrode by the application of an improved auto-combustion method to the preparation of porous BiVO₄ thin films. The unique feature of this preparation method is the addition of both NH₄NO₃, as a strong oxidizing agent, and an organic additive into BiVO₄ precursor solution. The local decomposition heat of the organic additive and oxidizing agent created a porous film with small, highly crystalline BiVO₄ particles. The photoelectrode has many advantages over existing ones, such as the high light-harvesting efficiency (LHE), a single BiVO₄ phase, the facile access of the holes to the photoelectrode/electrolyte interface, and the ease of water and oxygen diffusion. The maximum incident photon-to-current efficiency (IPCE) was estimated to be 64% (at 440 nm, 1.23 V vs. RHE) and the applied bias photon-tocurrent efficiency (ABPE) reached as high as 1.28%. This ABPE value is highest among all oxide semiconductor photoelectrodes reported previously, except for the case of a stacking photoelectrode system.     

600 MW级机组辅机系统单列配置探讨

在目前空预器和风机可靠性高的前提下,对600　MW级机组烟风系统采用单系统配置的可行性进行探讨,从系统配置特点、可靠性、设备造价、运行经济性等方面对风机单列配置和双列配置进行了比较分析。结果表明辅机采用单列配置在技术和经济上都是可行的。     

基于遗传算法的重型矿用自卸车车斗优化设计

基于遗传算法对采用HARDOX钢板的重型矿用自卸车车斗进行优化设计,确定了自卸车车斗优化问题中的优化变量,以车斗钢板最小总体积(质量)为最优目标,根据强度要求、承载能力要求、固有频率限制等约束条件,建立了优化问题的数学模型,得到了优化后的车斗尺寸。基于遗传算法得到的车斗各板壁厚明显降低,对设计载重为290 t的车斗,经过试算,减重9.6%、柴油节约8%、轮胎节约7%、生产效率提高3%、维修维护减少15%、推土机等辅助工具减少12%,验证了遗传算法在自卸车车斗轻量化设计问题中的有效性和必要性。     

控ZSM-5分子筛酸性的方法研究进展(Ⅱ)非金属及金属改性

调控ZSM-5酸性一直是ZSM-5分子筛改性研究的重点。采用非金属、碱土金属及过渡金属等对ZSM-5分子筛进行元素掺杂改性是调控其酸性能的主要手段。可通过筛选改性元素种类、控制改性元素用量、对内外表面酸中心同时或分别改性等方法调控ZSM-5分子筛的酸性能。通常在一定范围内,磷、镁、钙元素掺杂改性后的ZSM-5分子筛强酸位点减少,而弱酸位点增加;硼元素掺杂改性后的ZSM-5分子筛只对弱酸位点发生作用;锌、镓元素掺杂改性后的ZSM-5分子筛会导致其B酸量减少,L酸量增加;铜、银元素掺杂改性后的ZSM-5分子筛由于发生氧化还原作用,其还原态Cu-ZSM-5和Ag-ZSM-5的B酸量较高,蒸汽稳定性较好,且裂解性能较高;钨元素掺杂改性后的ZSM-5分子筛也会使其酸量及酸强度降低。同时探讨了不同反应体系中分子筛酸性能与催化性能间的关系,为提高ZSM-5分子筛在各反应的催化性能提供依据。