认清形势 振奋精神全面完成化工“八五”计划的各项任务

总结回顾了１９９４年中国化学工业的改革及发展现状，提出了１９９５年化工生产建设的目标及在化工行业改革方面的四项试点工作，强调了编制“九五”计划的重要性。     

Adhesion Mechanisms of Polyurethanes to Glass Surfaces. III. Investigation of Possible Physico-Chemical Interactions at the Interphase

Surface free energies of polyurethanes made from toluene diisocyanate and 1, 4 butanediol-based hard segments and caprolactone polyol-based soft segments were calculated using additive functions. Good agreement was found between the calculated values based on additive functions and the calculated values based on contact angle measurements. The phase-separated polyurethanes were found to have a higher polar surface free energy component (γ^P). This was linked to the preferential segregation of butanediol/butanediol-derived moieties to the polyurethane surfaces due to phase separation. The adhesion values of these polyurethanes to soda-lime glass were correlated with their respective γ^P values and a linear relationship was found. It was also shown that the adhesion values of the low γ^P polyurethanes improved substantially when the glass surfaces were coated with a thin layer of butanediol prior to the bonding. The modulus of the interphase region rich in butanediol was evaluated. Although a modulus increase was found at the interface, this increase was found to play a secondary role in the adhesion. The chemical interactions at the polyurethane/glass interphase were investigated by pre-treating the glass surfaces with methyl-trimethoxysilane and trimethylchlorosilane prior to adhesion testing. The adhesion data showed no significant difference between the uncoated and the silane-treated glass substrates. Based on this experimental evidence, the possibility of any covalent or ionic bonding at the polyurethane/glass interphase was assumed negligible. It was determined that the mechanism of adhesion between the polyurethanes and the glass surface could be through the formation of an interphase region in which hydrogen bonding between the butanediol-rich interphase region and the hydroxylated glass surface plays a key role.     

Electrical and optical properties of oxygen doped GaN grown by MOCVD using N2O

Oxygen doped GaN has been grown by metalorganic chemical vapor deposition using N₂O as oxygen dopant source. The layers were deposited on 2″ sapphire substrates from trimethylgallium and especially dried ammonia using nitrogen (N₂) as carrier gas. Prior to the growth of the films, an AIN nucleation layer with a thickness of about 300? was grown using trimethylaluminum. The films were deposited at 1085°C at a growth rate of 1.0 μm/h and showed a specular, mirrorlike surface. Not intentionally doped layers have high resistivity (>20 kW/square). The gas phase concentration of the N₂O was varied between 25 and 400 ppm with respect to the total gas volume. The doped layers were n-type with carrier concentrations in the range of 4×10¹⁶ cm⁻³ to 4×10¹⁸ cm⁻³ as measured by Hall effect. The observed carrier concentration increased with increasing N₂O concentration. Low temperature photoluminescence experiments performed on the doped layers revealed besides free A and B exciton emission an exciton bound to a shallow donor. With increasing N₂O concentration in the gas phase, the intensity of the donor bound exciton increased relative to that of the free excitons. These observations indicate that oxygen behaves as a shallow donor in GaN. This interpretation is supported by covalent radius and electronegativity arguments.     

溶胶－凝胶二氧化硅驻极体薄膜的物理化学改性

实验研究了由溶胶－凝胶法制备二氧化硅驻极体薄膜的工艺。用红外透射谱、扫描电子显微镜以及驻极体等温表面电位测量和热刺激放电等实验考察了热处理和化学表面修正两个关键工艺对溶胶－凝胶二氧化硅样品驻极体性能的影响。结果表明经过高温条件下一定时间的热处理和化学表面修正，可以制备出性能优良的驻极体薄膜     

In Situ FTIR Study of the Formation of an Organosilane Layer at the Silica/Solution Interface

An FTIR experiment especially designed to study the growth of an organosilane layer at the interface between a solution and a flat silica surface is presented. High sensitivity is achieved by using the attenuated total reflection (ATR) technique in a liquid flow cell. The ATR crystal, either silicon or germanium, is covered with a very thin silica layer. Chemical reactions of a mono-and a di-hydrolyzable silane with the silica substrate have been investigated. The grafting of a submonolayer of the first reagent has been monitored by following the C-H and SiO-H vibrations. The density of grafted molecules has been estimated and information on the nature of the chemical bonding has been achieved. Evidence for the chain-polymerization of the dihydrolyzable silane at the substrate/solution interface has been inferred from the appearance of a Si-O-Si absorption band.     

GaAs FET辐射退化研究

低噪声ＧａＡｓ ＦＥＴ和功率ＧａＡｓ ＦＥＴ经中子辐射都未发生致命性的通或断失效，直流偏置伏态下，其失效模式仅仅表现为源漏饱和电流ＩＤＳＳ的退化降低，据此提出了ＩＤＳＳ退化失效与快中子注量φｎ之间的解析关键式ｌｎｙ＝ａ＋ｂｌｎφ。     

The integral experiment on beryllium with D-T neutrons for verification of tritium breeding

A clean benchmark experiment on beryllium was performed with D-T neutrons at the FNS facility of the Japan Atomic Energy Agency. The main objective was to verify the integral data related to the tritium production on lithium isotopes. Tritium production rates, as well as activation reaction rates were measured inside the beryllium assembly that was shaped as a pseudo-cylindrical slab with an area-equivalent diameter of 628 mm and a thickness of 355 mm. Experimental results were analyzed with a three-dimensional Monte Carlo transport code MCNP-4C and FENDL/MC-2.0, JENDL-3.2/3.3 neutron transport libraries. Evaluation of reaction rates was based on the cross section data taken from the JENDL Dosimetry File and ENDF B-VI data libraries. Analysis shows that all calculation combinations (transport and activation cross section libraries) used for evaluation of reaction rates give data that is agreeable with measured values within 10%.     

专家系统在化工中的应用进展

本文综述了近年来专家系统在化工领域的应用状况，并指出今后的发展趋势。     

Use of chemical variation and predation as plant defenses byEncelia farinosa against a specialist herbivore

Larvae of the monophagous herbivore,Trirhabda geminata, selectively eat particular plants and plant parts of its natural host,Encelia farinosa. Measurements of leaf damage and larval positions on branches through time support this observation. Time-lapse movie photography revealed that larvae are sufficiently mobile to search most of a plant in a 48-hr period and that aggregations were the result of larval activity and not directly the result of oviposition. Experiments withT. geminata larvae on artificial diets containing a range of natural concentrations of chemical extracts fromE. farinosa leaves showed that the larvae grew significantly slower and had a lower overall survivorship at the high concentration. Combining the results of all choice tests, larvae appeared unable to distinguish between high- and low-concentration agar diets. Considered individually, larval preferences for natural production concentrations changed as the season progressed. Early-season larvae preferred low-concentration leaves, while late-season larvae preferred high-concentrations. Measurements of chemical and nitrogen content of leaves selected by larvae in the field confirmed this pattern. Percent parasitism in field-collected larvae increased with season as the larval population decreased. This combination of slowed growth and increasing parasitism and predation is a putative defense strategy ofEncelia farinosa to prevent adaptation by a specialist herbivore to the total range of compounds elaborated.     

铂与氢、水和苯分子相互作用的量子化学研究

采用量子化学程序Gaussian98(A.9)从头算的B3LYP方法，全优化计算铂对氢、水和苯的化学吸附作用，得到了3种相关络合物PtX、PtXX和Ptxxx(X=H，H2O或C6H6)的平衡几何构型和电子结构信息，并探讨了这些络合物的成键性质，以及苯环与铂原子之间的分子轨道作用性质。结果表明，苯环与铂原子之间有很强的成键作用，并随着游离氢原子和水分子的参与，作用强度有很大变化。苯分子吸附在金属铂上，它的芳香性得到不同程度的降低，苯环被活化，苯环与铂原子之间形成η^2型π键络合物；水参与作用后，苯环与铂原子之间形成σ络合物；氢和水同时参与作用后，苯环与铂原子之间仅有很弱的π轨道作用。