A New Flow Instrument for Conductance Measurements at Elevated Temperatures and Pressures: Measurements on NaCl(aq) to 458 K and 1.4 MPa

A new flow electrical conductance instrument was constructed and tested on dilute NaCl solutions up to 458 K, and on more concentrated solutions (maximum 0.436 mol⋅kg⁻¹) at 373 K. The results of the new instrument agreed with those of previous authors within the estimated experimental errors. The model of Bernard et al. (J. Phys. Chem. 96, 3833–3840 (1992), MSA) was found to represent the high-temperature results without introducing an ion-pairing equilibrium constant. The Fuoss–Hsia conductance equation as given by Fernandez-Prini was found to represent the dilute concentrations with Λ° (NaCl) as the only adjustable parameter. It was found that Λ° (NaCl) could be expressed as a function of solvent viscosity and density by using three parameters found by regression of literature results between 278.15 and 523 K. This equation along with the FHFP theory permits the equivalent conductivity of dilute sodium chloride solutions to be calculated within the accuracy of the existing experimental measurements.     

Density functional theory investigation of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0)

The adsorption of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0) has been investigated using density functional theory (DFT). While experimental studies of CN on Cu(1 1 1) show the molecular axis to be essentially parallel to the surface, the normally-preferred DFT approach using the generalised gradient approximation (GGA) yields a lowest energy configuration with the C-N axis perpendicular to the surface, although calculations using the local density approximation (LDA) do indicate that the experimental geometry is energetically favoured. The same conclusions are found for CN on Ni(1 1 1); on both surfaces bonding through the N atom is always unfavourable, in contrast to some earlier published results of ab initio calculations for Ni(1 1 1)/CN and Ni(1 0 0)/CN. The different predictions of the GGA and LDA approaches may lie in subtly different relative energies of the CN 5σ and 1π orbitals, a situation somewhat similar to that for CO adsorbed on Pt(1 1 1) which has proved challenging for DFT calculations. On Ni(1 0 0) GGA calculations favour a lying-down species in a hollow site in a geometry rather similar to that found experimentally and in GGA calculations for CN on Ni(1 1 0).     

分子间作用力对制备含有机废弃之水泥浆体影响研究

研究以水泥处理固体有机物时，有机物对水泥水化的影响。以膜流模式说明水份在水泥浆体内传输的现象。水膜存在半干之水泥浆体，其厚度小于100nm，膜流由离分压所驱动，而离分压来自分子间作用力。膜拟结果发现，水泥浆体内局部位置可用以进行水化之水量为Q=-Aslv／6vπ。当有机物添加在水泥浆体内时，会影响Hamaker常数，Aslv因此可能使膜流不稳定或完全抑制膜流，因而使水泥浆体内局部缺水，影响水化进行，造成成品强度降低，影响品质。     

Characteristics of Ti0.97Co0.03O2:Sb0.01 dilute magnetic semiconducting thin films deposited at 500 °C by pulsed laser deposition

Epitaxial Ti_0.97Co_0.03O₂:Sb_0.01(TCO:Sb) films were deposited on R-Al₂O₃ (1 1 0 2) substrates at 500 °C in various deposition pressures by pulsed laser deposition. The solubility of cobalt within the films increases with decreasing deposition pressure at a deposition temperature of 500 °C. The TCO:Sb films deposited at 5×10⁻⁶ Torr exhibit a p-type anomalous Hall effect having a hole concentration of 6.1×10²²/cm³ at 300 K. On the other hand, films deposited at 4×10⁻⁴ Torr exhibits an n-type anomalous Hall effect having an electron concentration of about 1.1×10²¹/cm³. p- or n-type DMS characteristics depends on the change of the structure of TCO:Sb films and the solubility of Co is possible by controlling the deposition pressure.     

Measurement and prediction of solubilities and diffusion coefficients of carbon dioxide in starch–water mixtures at elevated pressures

The solubility and diffusion coefficient of carbon dioxide in intermediate‐moisture starch–water mixtures were determined both experimentally and theoretically at elevated pressures up to 16 MPa at 50 °C. A high‐pressure decay sorption system was assembled to measure the equilibrium CO₂ mass uptake by the starch–water system. The experimentally measured solubilities accounted for the estimated swollen volume by Sanchez–Lacombe equation of state (S‐L EOS) were found to increase almost linearly with pressure, yielding 4.0 g CO₂/g starch–water system at 16 MPa. Moreover, CO₂ solubilities above 5 MPa displayed a solubility increase, which was not contributed by the water fraction in the starch–water mixture. The solubilities, however, showed no dependence on the degree of gelatinization (DG) of starch. The diffusion coefficient of CO₂ was found to increase with concentration of dissolved CO₂, which is pressure‐dependent, and decrease with increasing DG in the range of 50–100%. A free‐volume‐based diffusion model proposed by Areerat was employed to predict the CO₂ diffusivity in terms of pressure, temperature, and the concentration of dissolved CO₂. S‐L EOS was once more used to determine the specific free volume of the mixture system. The predicted diffusion coefficients showed to correlate well with the measured values for all starch–water mixtures. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 607–621, 2006     

Influence of temperature-pressure treatment on heavily hydrogenated silicon surface

Microstructure and related properties of hydrogenated silicon samples, Si:H, treated at high-temperature (HT) up to 1270 K under hydrostatic argon pressure (HP) up to 1.1 GPa are investigated. To prepare Si:H, Czochralski grown 0 0 1 oriented single crystalline Si wafer with 50 nm thick surface SiO₂ layer was heavily implanted with hydrogen using the immersion plasma source of hydrogen ions with energy 24 keV.The surface of HT-HP treated Si:H was characterised by scanning electron microscopy. Reflectivity pattern measurements in the wavelength range of 350-2000 nm have been performed to analyse their surface and bulk properties. The volume averaging method for a model of layer-like structure has been used to simulate the HT-HP treated Si:H. The analysis of Si:H samples suggests the multi-layer structure composed of Si, Si:H, SiO, SiO₂, and of porous Si layers in the sub-surface region. The porous Si:H samples model is in good consistency with experimental data from reflectance measurements.     

Sr1-xLaxTiO3的高温高压合成及XPS研究

 利用高温高压方法合成了有稀土元素La掺杂的钙钛矿氧化物Sr_1-xLa_xTiO₃。XRD测试表明，在x≤0.5时，样品基本为单相，呈立方相；晶胞体积随x的增加而增加，在x=0.4时开始减小。XPS测量发现，样品中存在Ti离子的变价。讨论了Ti离子价态的变化对晶格参数的影响。     

对煤矿岩体中固流耦合效应问题研究的探讨

本文对固流耦合效应的基本概念、基本原理进行了简单介绍。并对采动影响下邻近煤层、岩层的瓦斯向本层采空区的流动规律,以及煤和瓦斯突出的机理和发生的理论,分别作为固流耦合效应的两类不同问题进行了研究.同时提出了今后进行进一步研究的看法。     

低密度聚乙烯光引发交联机理——Ⅱ.BNB自旋捕捉ESR研究

在光引发剂二苯甲酮(BP)存在下,紫外光辐照低密度聚乙烯(LDPE)所形成的自由基中间体已被自旋捕捉剂2,4,6-三特丁基亚硝基苯(BNB)所捕捉,其自旋加合物自由基已为电子自旋共振(ESR)所特征。现已检测和鉴定到二种自旋加合物:一种是叔碳自由基;另一种是仲碳自由基。它们分别是由BP的激发三重态从LDPE链的支化点和亚甲基团上夺氢所形成的自由基中间体同自旋捕捉剂BNB反应生成的。上述的证据表明:LDPE的光引发交联点主要发生在叔碳和仲碳原子上,且H-型交联点占主导地位。     

Γ andX bandgap hydrostatic deformation potentials for epitaxial In0.52Al0.48As on InP(001)

The pressure dependence of the direct and indirect bandgap of epitaxial In_0.52Al_0.48As on InP(001) substrate has been measured using photoluminescence up to 92 kbar hydrostatic pressure. The bandgap changes from Γ toX at an applied pressure of ∼ 43 kbar. Hydrostatic deformation potentials for both the Γ andX bandgaps are deduced, after correcting for the elastic constant (bulk modulus) mismatch between the epilayer and the substrate. For the epilayer we obtain and+(2.81±0.15)eV for the Γ andX bandgaps respectively. From the pressure dependence of the normalized Γ-bandgap photoluminescence intensity a Γ-X lifetime ratio, (τ_Γ/τ _X ), of 4.1×10⁻³ is deduced.