电化学界面处离子分布、静电势和ξ势的研究

Density functional theory is applied to predicting the structures and electrostatic potentials of planar electrochemical surfaces within the framework of the restricted primitive model where small ions are represented by charged hard spheres of equal diameter and the solvent is assumed to be a continuous dielectric medium. The hard-sphere contribution to the excess Helmholtz energy functional is evaluated using the modified fundamentalmeasure theory and the electrostatic contribution is obtained from the quadratic functional Taylor expansion using the second-order direct correlation function from the mean-spherical approximation. Numerical results for the ionic density profiles and the mean electrostatic potentials near a planar surface of various charge densities are in excellent agreement with molecular simulations. In contrast to the modified Gouy-Chapman theory, the present density functional theory correctly predicts the second layer formation and charge inversion of charged surfaces as observed in simulations and in experiments. The theory has also been tested with the zeta potentials of positively charged polystyrene particles in aqueous solutions of KBr. Good agreement is achieved between the calculated and experimental results.     

几种常用的助磨剂、黏结剂在荧光分析制样中的使用探讨

以前我公司在制备荧光分析样片时使用三乙醇胺（TEA）作助磨剂和黏结剂，从2006年4月起，我公司生产水泥所用的混合材发生了变化，原来常用的沸石暂停使用，改为以粉煤灰为主要的混合材配合一定量的石灰石。为此原来的制样方法已不再适用：样片强度低、开裂掉块，分析时严重威胁到设备的安全；减少TEA的加入量时糊磨现象十分严重。鉴于以上情况，我们决定重新进行助磨剂、黏结剂试验，对常用的TEA、硬脂酸、液体石蜡和甲基纤维素（MC）分别进行了试验。     

Electrode–Ceramic Inter-Diffusion of Ba(Ti,Zr)O3-Based Y5V MLCCs with Ni Electrodes

The Ba(Ti,Zr)O₃-based multilayer ceramic capacitors (MLCCs) with Ni electrodes, which meet the Electronic Industry Association Y5V standard (from −30° to 85°C, at a temperature capacitance coefficient between −82% and 22%), have been studied in view of the electrode-ceramic inter-diffusion by several microstructual techniques (scanning electron microscopy/transmission electron microscopy/high-resolution transmission electron microscopy (HRTEM)) with an energy-dispersive X-ray spectrometer (EDS). The EDS analysis shows that the elements' inter-diffusion took place along the metal–dielectric interface and the migration of Ni toward the dielectric layers dominated this process. The incorporation of Ni did not transform the crystal structure but introduced lattice distortions, which were characterized by HRTEM, X-ray diffraction, and EDS. The degree of Ni diffusion in the sample with the thinner dielectric layer was more severe. It was concluded from the results that the Ni diffusion is related to the formation of oxygen vacancies after the annealing process, which should be a noticeable factor in the degradation behavior and reliability of base metal electrode MLCCs. The factors influencing the inter-diffusion are also discussed.     

甲基-酰基-萘在庚烷、辛烷和十二烷中溶解度的测定与关联

The solubilities of 2-methyl-6-acetylnaphthalene (2,6-MAN) and 2-methyl-7-acetylnaphthalene (2,7-MAN) in n-heptane, n-octane, and n-dodecane were measured, respectively, from 273.15 to 319.15 K using an analytical method. On the basis of the thermodynamics theory of solid-liquid equilibrium, a model was derived to relate the solubilities with temperature. Using the least square method, the parameters of the model, the fusion enthalpies △fusH and the Margules equation coefficients A12 and A21 of 2,6-MAN and 2,7-MAN in n-heptane, n-octane, and n-dodecane-were obtained by regressing the experimental data. The average deviation of the model was 1.70%.     

电晕法处理超高相对分子质量聚乙烯纤维

用电晕法对超高相对分子质量聚乙烯纤维进行了表面处理。利用DPPH检测纤维表面自由基的产生和变化，并用XPS表面元素分析、SEM等方法探讨了纤维表面性能处理前后的变化。实验发现，通过电晕处理后，纤维复合材料的抗剪切强度从未处理的5．98MPa提高到14．3MPa。     

阳离子香豆胶的合成及结构表征

以3-氯-2-羟丙基三甲基氯化铵(HAT)为阳离子醚化剂,天然香豆胶为原料,异丙醇为分散剂制得季铵盐型阳离子香豆胶。研究了HAT、催化剂NaOH、反应温度和反应时间对合成阳离子香豆胶(CFG)的影响,用凯氏定氮法测定了CFG的取代度。合成CFG的优化实验条件为:m(香豆胶)∶m(异丙醇)∶m(HAT)∶m(NaOH)=1∶(1.6~2)∶(0.15~0.3)(∶4~8),反应温度40~50℃,反应时间2~3 h,制得的产品能满足工业应用要求的黏度及取代度范围(500~800 mPa.s,DS=0.86~1.32)。用FTIR和13CNMR对CFG的结构进行了表征。     

Bacillus subtilis NX-2合成g-聚谷氨酸的立体构型调控机理

探讨了在Bacillus subtilis NX-2发酵生产g-聚谷氨酸(g-PGA)过程中，Mn2+对g-PGA结构中D-和L-谷氨酸组成的影响及其与催化L-谷氨酸生成D-谷氨酸的两个相关酶?谷氨酸消旋酶和D-氨基酸转氨酶之间的关系. 当Mn2＋浓度由0增加到0.09 g/L时，D-谷氨酸比例从18%增加到77%；谷氨酸消旋酶活性从0.200 U/mg变为0.441 U/mg，提高了1倍多，D-氨基酸转氨酶活性则几乎没有变化. 说明谷氨酸消旋酶参与了L-到D-谷氨酸的转化过程，且Mn2+是通过改变谷氨酸消旋酶的活性来调节产物g-PGA的立体组成的，这与目前报道的枯草芽孢杆菌合成g-PGA过程中Mn2+浓度与g-PGA中D-, L-构型比无关的结果不同. 当Mn2＋浓度为0.03 g/L时，发酵过程中生成的g-PGA中D-谷氨酸比例不变，维持在75%左右.     

珍珠岩助滤剂在天然卤水精制中的应用

通过实验 ,得出在天然卤水制小苏打的生产过程中 ,使用珍珠岩助滤剂对天然卤水精制是可行的。     

一水合硫酸氢钠催化β-萘甲醚的合成

利用一水合硫酸氢钠催化合成 β 萘甲醚 ,3 6 gβ 萘酚 ,3ml甲醇 ,1 5g一水合硫酸氢钠 ,80℃反应5h ,HPLC分析产率达 78 3%。固体催化剂容易过滤分离。     

加氢催化剂的器外再生

介绍了国内外再生技术的发展状况，对比器内和器外再生技术的优缺点以及催化剂活性恢复率的差异，说明器外再生技术是催化剂再生的发展方向。