An Explanation on the Electron Ionization Mass Spectra of Crown Ethers by MNDO Computational Method

he bond lengths and bond orders of four kinds of chemical bonds in crownethers(15) were calculated based on the model molecules using MNDO method.With the calculation results, some predictions to the EI mass spectral fragmenta-tion behaviour of crown ethers are suggested. The EI mass spectra of studied crownethers are in satisfactory agreenient with the predictions.

Effectiveness of inhibitors in increasing chloride threshold value for steel corrosion

This investigation was aimed at evaluating the effectiveness of corrosion inhibitors in increasing the chloride threshold value for steel corrosion. Three types of corrosion inhibitors, calcium nitrite （Ca（NO2）2）, zinc oxide （ZnO）, and N,N＇-dimethylaminoethanol （DMEA）, which respectively represented the anodic inhibitor, cathodic inhibitor, and mixed inhibitor, were chosen. The experiment was carried out in a saturated calcium hydroxide （Ca（OH）2） solution to simulate the electrolytic environment of concrete. The inhibitors were initially mixed at different levels, and then chloride ions were gradually added into the solution in several steps. The open-circuit potential （Ecorr） and corrosion current density （lcorr） determined by electrochemical impedance spectra （EIS） were used to identify the initiation of active corrosion, thereby determining the chloride threshold value. It was found that although all the inhibitors were effective in decreasing the corrosion rate of steel reinforcement, they had a marginal effect on increasing the chloride threshold value.

Chemical composition and Mott-Schottky analysis of passive film formed on G3 alloy in bicarbonate/carbonate buffer solution

The chemical composition and semi-conductive properties of passive film on nickel- based alloy （G3 alloy） in bicarbonate/carbonate buffer solution were investigated by Auger electron spectroscopy （AES）, X-ray photoelectron spectroscopy （XPS）, elec- trochemical impedance spectra （EIS） and Mott-Schottky plot. AES and XPS results showed that the passive film appeared double-layer structure, in which the inner film was composed of nickel oxide, the mixed nickel-chromium-molybdenum-manganese oxides were the major component of the outer film. The electrochemical results revealed that the factors including frequency, potential, time, temperature and pH value can affect the semi-conductive property, the doping densities decreased with increasing potential and pH value, prolonging time and decreasing temperature. According to the above results, it can be concluded that the film protection on the substrate was enhanced with increasing potential and pH value, prolonging time and decreasing temperature.

Investigation on Electronic Property of Passive Film on Nickel in Bicarbonate/Carbonate Buffer Solution

The electronic properties of passive film formed on nickel in bicarbonate/carbonate buffer solution were studied by electrochemical impedance spectra （EIS） and Mott-Schottky plot. The film composition was analyzed by X-ray photoelectron spectroscopy （XPS）. The results showed that passive film exhibited p-type semi-conductive character, and the acceptor density （NA） decreased with increasing potential, prolonging time, decreasing temperature, increasing pH value and decreasing chloride/sulfur ions concentration. The transfer resistance and film resistance increased with the above factors changing. XPS results showed that passive film was composed of NiO and a little amount of Ni2O3.