Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/ WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of −1.51 and −2.67 eV, respectively. On the other hand, CH₃O stably binds at three-fold and bridge sites, with an adsorption energy of −2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp³ and hydroxyl-like configurations, respectively. Hence, the C atom of CH₂OH preferentially attaches to the top sites, CHOH and CH₂O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH₃OH and CH₂OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH₃OH → CH₂OH → trans-CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH₃OH decomposition pathway and reduces the noble metal utilization.     

ZnO基薄膜晶体管的研究

ZnO是一种宽带隙的光电半导体材料,能应用于很多领域,如可用在压敏变阻器、声表面波器件、气敏元件、紫外光探测等。ZnO也可以作为有源层应用于薄膜晶体管(TFT)中。ZnO基薄膜晶体管具有以下突出优势:对于可见光部分平均具有80%以上的透射率,迁移率可以高达36cm2/V·s,开/关电流比大于106,可在较低温度(甚至室温)下制备。基于这些优点,ZnOTFT具有取代有源矩阵液晶显示器中常规a-SiTFT的趋势。同时对ZnOTFT的研究也推动了透明电子学的发展。本文阐述了ZnOTFT优越的电学性能,指出了其目前尚存在的不足,并对其发展前景进行了展望。     

On the origin of strain hardening in glassy polymers

The influence of network density on the strain hardening behaviour of amorphous polymers is studied. The network density of polystyrene is altered by blending with poly(2,6-dimethyl-1,4-phenylene-oxide) and by cross-linking during polymerisation. The network density is derived from the rubber-plateau modulus determined by dynamic mechanical thermal analysis. Subsequently uniaxial compression tests are performed to obtain the intrinsic deformation behaviour and, in particular, the strain hardening modulus. At room temperature, the strain hardening modulus proves to be proportional to the network density, irrespective of the nature of the network, i.e. physical entanglements or chemical cross-links. With increasing temperature, the strain hardening modulus is observed to decrease. This decrease appears to be related to the influence of thermal mobility of the chains, determined by the distance to the glass-transition temperature (T−T_g).     

泥页岩井壁稳定研究及在临盘地区的应用

从岩石力学和物理化学两个主要因素简要分析了井壁失稳的机理，指出泥页岩井壁失稳是由力学与化学两方面因素共同作用的结果。钻井液与泥页岩存在化学势差，并改变了井壁附近的孔隙压力，降低岩石强度。借助于井壁处有效应力的变化,将泥页岩与钻井液相互作用时页岩水化所产生的力学效应与纯力学效应结合起来，计算出任意井斜方位井眼围岩应力状态，利用测井资料求出有关岩石力学参数和Mohr Couloumb准则，计算得出防塌的临界钻井液密度。     

红外光谱法用于快速测定车用柴油酸度等性质的研究

针对车用柴油酸度等性质测定过程繁琐，采用衰减全反射样品池测定车用柴油的红外光谱，用偏最小二乘法（PLS）建立红外光谱测定车用柴油酸度、密度、闪点和凝点的4个校正模型，验证标准误差分别为0.46 mg/(100 mL),0.77kg/m3,2.60 ℃,2.77 ℃，该方法符合标准方法再现性要求。与标准方法相比，该方法具有无需预处理、操作简单、测量快速、重复性好等优点。     

低阻VDMOSFET的优化设计与制造

文章对9926型双N沟增强型VDMOSFET进行了结构和版图的优化设计。给出了该器件的纵横向结构参数,材料的物理参数和版图总体结构。单胞结构的优化设计使单胞密度达到204万个/cm2,比国际市场现有产品的单胞密度(156万个/cm2)提高了30%。这种设计采用浅n+注入工艺可使器件生产成本下降31%。最后对研制结果进行了分析讨论。     

集输系统热回水管线腐蚀分析

中国石油天然气股份有限公司华北分公司第三采油厂油气集输系统热回水管线普遍存在着腐蚀问题,影响原油生产和集输的正常运行。介绍了腐蚀较严重的13个站点的水质普查、水质结垢倾向和腐蚀性情况,并在水质分析的基础上进行了热水管线腐蚀因素的试验研究,确定腐蚀主要因素为水中的溶解氧含量高,从而造成腐蚀。     

开关电源的平均电流自动均流技术

针对多个开关电源并联时易出现负载电流在各模块间分配不均的现象,介绍了常用的负载电流自动均流法——平均电流自动均流法及其工作特性。并针对其存在母线电压降低的缺陷,提出了一种改进的平均电流自动均流方法,经试验证明均流精度比较高。     

MPTA型原油脱金属剂的工业应用

在对高金属含量原油进行初步评价的基础上，利用SH—Ⅰ型电脱盐试验仪对自主开发的MPTA型原油脱金属剂进行了原油脱金属的实验室研究。结果表明，当MPTA型脱金属剂加入量为250μg／g时，钙的脱除率可达97．4％，并且对其它金属元素，如镍、铁、钠、锰、铝和钒也有明显的脱除效果。该剂在山东恒源石油化工股份有限公司重交沥青车间500kt／a的电脱盐装置上进行原油脱金属工业试验的结果表明，经过二级电脱盐处理后，钙的脱除率达到99．1％，钠的脱除率为94．6％，铁的脱除率为82．9％，并可在一定程度上降低原油中镍和铜的含量。使用MPTA型原油脱金属剂显著降低了一、二级电脱盐装置的电场电流，有利于炼油厂的节能降耗。     

Simultaneous Measurement of Viscosity and Density with an Oscillating-Disk Instrument: The Effect of Fixed Plates

The period and damping of the free motion of a body oscillating in a fluid depend on the fluid's viscosity and density. Commonly, a working equation which expresses the damping as a function of the viscosity and density is solved for the viscosity, the damping being measured and the density being treated as an independently supplied parameter. Another working equation exists for the period, and, in general, the period depends on a combination of the viscosity and the density which is linearly independent of the combination that appears in the damping equation. It is, therefore, in principle, possible to determine both the viscosity and the density by a simultaneous solution of the two coupled working equations, since the period also is measured. In this paper, the working equations that describe the oscillating-disk viscometer are reviewed and their simultaneous solution is considered. The effect of fixed plates symmetrically located above and below the oscillating disk is of specific interest. The paper's main result is that fixed plates can dramatically increase the independence of the damping and period working equations, so that it becomes indeed feasible to determine the viscosity and the density of a fluid simultaneously from the damping and period of oscillating motion. A price is paid, however, because the instrument's working equations when plates are present have multiple solutions. Under special conditions, these multiple solutions can coalesce, and then one can only deduce the viscosity from the damping equation if the density is known a priori.