氮在钌单晶表面Ru(0001)上的吸附

钌系氨合成催化剂作为第二代氨合成催化剂,近年来日益受到重视。研究氮分子在钌表面上的离解吸附对提高钌催化剂的催化性能有着十分重要的意义。综述了氮分子在Ru(0001)单晶表面吸附的研究进展，并指出钌催化剂的发展方向。     

Evaluation of a palladinized Nafion™ for direct methanol fuel cell application

Palladinized Nafion™ was prepared via ion-exchange and chemical reduction method. Palladium precursors and solvent systems determined the efficiency of the incorporation and distribution of nanoparticles. The tortuous thin Pd film was formed on the surface of membrane when Na⁺-Nafion™ and water were used. Pd nanoparticles enhanced the water uptake of Nafion™ and reduced its methanol uptake. And dispersed Pd nanoparticles in Nafion™ disturbed the proton conduction and methanol permeation simultaneously in Nafion™ cluster. In order to reduce methanol permeation of Nafion™ and keep its high conductivity, it was more efficient for Pd nanoparticles to distribute near the surface of membrane. Palladinized Nafion™ improved the performance of DMFC single cell operation by reducing the methanol permeation.     

Local‐scale Benefits of River Connectivity Restoration Planning Beyond Jurisdictional Boundaries

Conservation planning aims to optimize outcomes for select species or ecosystems by directing resources toward high‐return sites. The possibility that local benefits might be increased by directing resources beyond the focal area is rarely considered. We present a case study of restoring river connectivity for migratory fish of the Great Lakes Basin by removing dams and road crossings within municipal jurisdictions versus their broader watersheds. We found that greater river connectivity could often be achieved by considering both intra‐jurisdictional and extra‐jurisdictional barriers. Focusing on jurisdictional barriers alone generally forfeited <20% (median = 0%) of habitat gains for those who value solely habitat gains within the jurisdiction, but >75% (median = 100%) for planners who value larger‐scale habitat gains. Similarly, cost savings tended to be between ?50% and +50%, but in some cases were very negative. Our study underscores the local‐scale benefits of broadening restoration investments, especially for decision makers of the Great Lakes Basin and contributes to a discussion of appropriate and efficient scales of conservation planning. Copyright © 2017 John Wiley & Sons, Ltd.     

Optimization of decision rules for hydroelectric operation to reduce both eel mortality and unnecessary turbine shutdown: A search for a win–win solution

Worldwide populations of freshwater eels have declined with one of the contributing causes related to mortality during passage through hydropower turbines. An inherent trade‐off underlies turbine management where the competing demand for more hydropower comes at the expense of eel survival. A win–win solution exists when an option performs better on all competing demands compared to other options. A predictive model for eel migration based on a recent telemetry study was used to develop decision rules for turbine management in the Shenandoah River system. The performance of alternative decision rules was compared to the status quo policy to search for win–win solutions. Decision rules were defined by the probability of eel movement and were evaluated by the probabilities of false positive and false negative errors. The exact value of the cut‐off probability used in the decision rule will need to be determined through negotiation between stakeholders, but a range of cut‐off probabilities resulted in a win–win situation with both reduced eel mortality and increased turbine operation relative to the current shutdown strategy. Monitoring the implementation is needed to evaluate and update the predictive model and to refine the decision rule. Although the decision is framed for the Shenandoah River system, the analytical approach could be used to develop decision rules for turbine shutdown policy in other areas.     

Free energy barrier for compact chains escaping from a small sphere

In this paper, the process of compact polymer chains escaping from a small sphere to a large one in the view of thermodynamics is investigated in detail based on the pruned-enriched-Rosenbluth method (PERM), which is quite efficient for the three-dimensional polymers on the simple-cubic lattice. In our simulation, three representative states of a polymer chain during the escaping process are studied, and some statistical properties of the chain size and the chain shape, such as mean-square radius of gyration per bond 〈S²〉/N and the shape factor 〈δ^∗〉 are investigated. Our aim is to illuminate how the size and shape of the compact chains change during the escaping process. The changes of 〈S²〉/N and 〈δ^∗〉 are not monotone and it is due to the fact that the chain should stretch itself in the escaping process. In the meantime, some thermodynamic properties are also calculated here. The hole is designed to be small enough to allow only one monomer at a time and it thus reduces the number of allowed chain conformations and breaks contacts between monomers at the beginning of the process. Additionally, we discuss the free energy barrier per bond H₂ − H₁ = ΔH of a compact chain, and here H₂ is the maximum free energy per bond during the process and H₁ is the minimum one when the compact chain is within the small sphere. Averaging free energy barrier over chain length N is convenient for the comparison with different chain lengths. ΔH as a function of chain length N and radius r₁ of the small sphere is also studied and our result shows that ΔH for longer chains is lower means that it is relatively easier for each bond in longer chains to surmount the free energy barrier to escape. Some discussions about the self-avoiding walk (SAW) and swollen chains are also made for the comparison, and our results also show that the restriction of the small sphere on the SAW and the swollen chains is more effective because of their relatively looser intrinsic structure.     

Polar and Non-Polar Solvent Permeation Resistance of Blow-Molded Bottles of Polyethylene/Blends of Modified Polyamide and Polyamide 6 Clay Nanocomposite

Investigations on white spirit and acetone permeation resistance of modified polyamide and nylon 6 clay (MPANYC) blends and their corresponding polyethylene/MPANYC bottles were reported in this study. The white spirit and acetone permeation resistance of MPANYC sheets improve consistently with increasing NYC contents present in MPANYC resins after blending nylon 6 clay (NYC) in modified polyamide (MPA) resins. However, the order of barrier improvement of the PE/MPANYC and PE/NYC bottle specimens is not corresponding to the order of barrier improvement of the MPANYC and/or NYC barrier resins added in PE. The blow-molded PE/NYC bottle specimen exhibits similarly worse white spirit and acetone solvent permeation resistance as the PE bottle specimen, wherein no clearly formed NYC laminas but only dispersed NYC droplets or agglomerates were found on the fracture surfaces of the PE/NYC bottles. However, after blending optimum compositions of MPANYC in PE, the PE/MPANYC bottles with demarcated MPANYC laminas exhibit significantly better white spirit and acetone permeation resistance than the PE/MPA bottle, wherein the white spirit and acetone permeation rates of the PE/MPA₈NYC₁ bottle are about 1.3 and 1.4 times slower than those of the PE/MPA bottle, respectively. In order to understand these interesting barrier properties of PE/MPANYC and PE/NYC bottles, rheological, thermal, wide angle X-ray diffraction and morphological properties of the base MPANYC and NYC resins and their corresponding morphology present in the blow-molded bottles were investigated.     

“入关”对部分化工矿产品的销售影响与对策(磷、硫、钾部分)

为了适应我国“入关”后国内外市场的形势,对化学矿山行业磷、硫、钾矿的国内外有关资料进行了分析研究。认为我国的磷矿和硫铁矿在国际市场上有相当的竞争力,而出口方向应是我国的周边国家和地区,钾矿将长期依靠进口。     

对国际原油价格持续走高的几点看法

分析了2005年上半年国际原油价格持续走高的原因，对下半年油价走势进行了预测。     

Effect of water on the oxygen barrier properties of poly(ethylene terephthalate) and polylactide films

The aim of this work was to study the variations in the oxygen diffusion, solubility, and permeability coefficients of polylactide (PLA) films at different temperatures (5, 23, and 40°C) and water activities (0–0.9). The results were compared with the oxygen diffusion, solubility, and permeability coefficients obtained for poly(ethylene terephthalate) (PET) films under the same experimental conditions. The water sorption isotherm for PLA films was also determined. Diffusion coefficients were determined with the half‐sorption time method. Also, a consistency test for continuous‐flow permeability experimental data was run to obtain the diffusion coefficient with the lowest experimental error and to confirm that oxygen underwent Fickian diffusion in the PLA films. The permeability coefficients were obtained from steady‐state permeability experiments. The results indicated that the PLA films absorbed very low amounts of water, and no significant variation of the absorbed water with the temperature was found. The oxygen permeability coefficients obtained for PLA films (2–12 × 10^?18 kg m/m² s Pa) were higher than those obtained for PET films (1–6 × 10^?19 kg m/m² s Pa) at different temperatures and water activities. Moreover, the permeability coefficients for PLA and PET films did not change significantly with changes in the water activity at temperatures lower than 23°C. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 92: 1790–1803, 2004     

Microstructure and thermal cycling behavior of thermal barrier coating on near-α titanium alloy

Two kinds of thermal barrier coatings (TBCs), consisting of NiCoCrAlY bond coats (BCs) deposited by electron beam-physical vapor deposition (EB-PVD) and high velocity oxy-fuel (HVOF) thermal spraying, respectively, and top 8 wt%Y₂O₃–ZrO₂ (8YSZ) ceramic layers deposited by EB-PVD were prepared on near-α titanium alloys. The field emission scanning electronic microscopy and microhardness indentation are used to study the microstructure and microhardness. Different failure features including cracking patterns and the delamination degree of these two TBCs are discussed according to the thermal cycling tests in the atmosphere. It is found that the morphology of the two BCs deposited by different methods (EB-PVD and HVOF) determines the microstructure and microhardness of their corresponding top 8YSZ layers. The BC prepared by EB-PVD is dense and homogeneous, which leads to a dense and hard 8YSZ with clustered slim columnar grains. The BC prepared by HVOF, however, is porous and inhomogeneous in microstructure and, as a result, the top ceramic layer is loose with low microhardness and clustered coarse columnar grains.