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.     

电沉积锌钴磷合金时阴极行为的研究

用动电位扫描法研究了在氯化物镀液中电沉积Ｚｎ－Ｃｏ－Ｐ合金时的阴极行为。认为在镀液中加入配体柠檬酸钠可以提高阴极极化。加入次磷酸钠有利于合金镀层的形成。     

Molecular association complex of urea with polyethylene: 3. Structural studies of the complex

The crystal structure of urea-polyethylene complex in the hexagonal form, obtained by one of our preparation methods, is analysed by X-ray power diffractometry. In this analysis, the fixed molecular parameters of urea are used, and three models with respect to rotational disorder of the guest polyethylene molecule are assumed. It is shown that the host lattice structure constructed by urea molecules is essentially the same as that of urea-n-paraffin complex. Effects of the disorder structure of the guest on X-ray scattering of the complex are presented. However, there is a difficulty in identifying the disorder structure by X-ray analysis. With the aid of a potential energy calculation between the hexagonal urea tunnel and the guest molecule, a rotational disorder model is preferred.     

2,6-萘二甲酸二甲酯与一些二甲基萘所形成的激基复合物

2,6-萘二甲酸二甲酯与一些二甲基萘可以形成激基复合物。本文通过稳态和动态荧光光谱研究了这类激基复合物的形成与分子结构的关系。结果表明,尽管这些二甲基萘的电离能基本相同,但因取代基位置不同使分子中电荷分布不同,从而影响了激基复合物的形成能力。     

阻垢缓蚀剂对不锈钢管缓蚀效果的评定方法

用点蚀电位法和失重法评价了七种阻垢缓蚀剂在不同冷却水样中对不锈钢的缓蚀效果。用腐蚀失重法评价阻垢缓蚀剂对不锈钢的缓蚀效果，既不合理也很难测准。点蚀电位法是评价阻垢缓蚀剂对不锈钢缓蚀效果的有效方法，但要选择合适的空白水样。     

Calmodulin Supports TRPA1 Channel Association with Opioid Receptors and Glutamate NMDA Receptors in the Nervous Tissue

Transient receptor potential ankyrin member 1 (TRPA1) belongs to the family of thermo TRP cation channels that detect harmful temperatures, acids and numerous chemical pollutants. TRPA1 is expressed in nervous tissue, where it participates in the genesis of nociceptive signals in response to noxious stimuli and mediates mechanical hyperalgesia and allodynia associated with different neuropathies. The glutamate N-methyl-d-aspartate receptor (NMDAR), which plays a relevant role in allodynia to mechanical stimuli, is connected via histidine triad nucleotide-binding protein 1 (HINT1) and type 1 sigma receptor (σ1R) to mu-opioid receptors (MORs), which mediate the most potent pain relief. Notably, neuropathic pain causes a reduction in MOR antinociceptive efficacy, which can be reversed by blocking spinal NMDARs and TRPA1 channels. Thus, we studied whether TRPA1 channels form complexes with MORs and NMDARs that may be implicated in the aforementioned nociceptive signals. Our data suggest that TRPA1 channels functionally associate with MORs, delta opioid receptors and NMDARs in the dorsal root ganglia, the spinal cord and brain areas. These associations were altered in response to pharmacological interventions and the induction of inflammatory and also neuropathic pain. The MOR-TRPA1 and NMDAR-TRPA1 associations do not require HINT1 or σ1R but appear to be mediated by calcium-activated calmodulin. Thus, TRPA1 channels may associate with NMDARs to promote ascending acute and chronic pain signals and to control MOR antinociception.     

Effect of steel microfibers on corrosion of steel reinforcing bars

Steel microfiber reinforcement was previously found to be successful in mitigating alkali silica reaction in concrete, an expansive phenomenon. The use of steel microfibers to mitigate rebar corrosion, another expansive reaction, was investigated. Mortar specimens with and without steel microfiber reinforcement were exposed to a corrosive environment. All specimens were prepared with water/cement ratios of both 0.40 and 0.55, cured for 28 days, and then submerged in aerated 3.5% NaCl solution. The corrosion behavior of the specimens was monitored via electrochemical measurements. Three types of electrochemical tests were performed: corrosion potential measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy. Chloride concentration measurements and microscopic analysis were performed as well. The polarization curves, Tafel, and polarization resistance measurements indicate that the steel rebar in the microfiber-reinforced mortars are more resistant to corrosion than the rebar in the control mortars, despite higher chloride concentrations. Furthermore, the steel microfiber-reinforced cement based materials have a lower electrolytic resistance. This is not indicative of a higher corrosion rate, which would be the case if it had been observed in standard mortar specimens.     

Electrosteric stabilization of concentrated cement suspensions imparted by a strong anionic polyelectrolyte and a non-ionic polymer

Strong polyelectrolytes, known as superplasticizers, improve the initial fluidity of concentrated cement suspensions through electrostatic stabilization. These polyelectrolytes do not maintain the initial fluidity, however, primarily due to an increase in the ionic strength of the cementitious suspension. Consequently, non-ionic polymers are often used in conjunction with polyelectrolytes to provide steric stabilization and hence to sustain the desired fluidity over a longer time, and this has lead to the development of copolymers with both electrostatic and steric (electrosteric) functionalities. To design such polymers, it is necessary to optimize the balance between electrostatic and steric stabilization to maximize suspension fluidity. We have quantified the effects of a strong anionic polyelectrolyte, melamine formaldehyde sulfonate (MFS), and a non-ionic polymer, hydroxypropylmethylcellulose (HPMC), on the zeta potential of cement particles and the steady shear and low-amplitude rheological properties of concentrated cement suspensions. While the adsorption of MFS onto the cement particle surfaces leads to a sign inversion in the zeta potential, the adsorption of the non-ionic HPMC has no significant effect on the potential. The addition of HPMC to the suspensions substantially reduces the steady shear viscosity and the storage modulus at constant MFS concentration; in addition, there exists an intermediate HPMC concentration that minimizes fluidity. The resulting suspension fluidity is also maintained over a longer time than in the absence of HPMC. This improvement in the stability and fluidity of cement suspensions is attributed to “complementary electrosteric dispersion/stabilization”, and provides insight to the design of polymers with electrosteric functionality.     

外加电流阴极保护在海水冷却槽中的应用

论述了金属的电化学腐蚀和外加电流阴极保护原理。说明对以海水为介质的冷却、冷凝设备,采用外加电流阴极保护是防止设备腐蚀的有效方法。举例说明了应用效果。     

多类型分类器融合的文本分类方法研究

传统的文本分类方法大多数使用单一的分类器,而不同的分类器对分类任务的侧重点不同,就使得单一的分类方法有一定的局限性,同时每个特征提取方法对特征词的考虑角度不同。针对以上问题,提出了多类型分类器融合的文本分类方法。该模型使用了word2vec、主成分分析、潜在语义索引以及TFIDF特征提取方法作为多类型分类器融合的特征提取方法。并在多类型分类器加权投票方法中忽略了类别信息的问题,提出了类别加权的分类器权重计算方法。通过实验结果表明,多类型分类器融合方法在二元语料库、多元语料库以及特定语料库上都取得了很好的性能,类别加权的分类器权重计算方法比多类型分类器融合方法在分类性能方面提高了1.19%。