• Advances in concrete construction
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• v.4 no.4
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• pp.305-317
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• 2016

Porous materials such as concrete could be subjected to aggressive ions transport. Durability of cement paste is extremely depended on water and ions penetration into its interior sections. These ions transport could lead different damages depending on reactivity of ions, their concentrations and diffusion coefficients. In this paper, chloride diffusion process in cement hydrates is simulated at atomistic scale using molecular dynamics. Most important phase of cement hydrates is calcium silicate hydrate (C-S-H). Tobermorite, one of the most famous crystal analogues of C-S-H, is used as substrate in the simulation model. To conduct simulation, a nanopore is considered in the middle of simulation cell to place water molecules and aggressive ions. Different chloride salts are considered in models to find out which one is better for calculation of the transport properties. Diffusion coefficients of water molecules and chloride ions are calculated and validated with existing analytical and experimental works. There are relatively good agreements among simulation outputs and experimental results.

• Bulletin of the Korean Chemical Society
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• v.22 no.7
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• pp.699-702
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• 2001

A series of cleft-type ionophores having two convergent hydroxamic acid functions are prepared and their selective ionophoric properties toward heavy metal and transition metal ions have been investigated. Hydroxamic acids 3 exhibited a prominent selectivity toward heavy metal ions of Hg2+ and Pb2+, and transition metal ions of Cu2+ over other transition metal and alkaline earth metal ions from slightly acidic source phase (pH 6) to an acidic receiving phase (pH 1). Selective ionophoric properties toward Pb2+ and Cu2+ ions over other surveyed metal ions are also confirmed by the FAB-MS measurements.

• Bulletin of the Korean Chemical Society
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• v.19 no.12
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• pp.1347-1350
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• 1998

The equivalent conductances for tetraethylammonium perchlorate (TEAP), tetrabutylammonium perchlorate (TBAP), tetrahexylammonium perchlorate (THAP), and tetradodecylammonium perchlorate (TDDAP) were measured in pyridine (Py) at 25 ℃. The measured data have been analyzed by Onsager conductance theory. From Kohirausch's law of independent migration of ion, the limiting ionic conductances of tetraalkylammonium ions were determined using the limiting ionic conductance of perchlorate cited from reference. Using those and viscosity of pyridine, the Stokes and hydrodynamic radii of tetraethylammonium, tetrabutylammonium, tetrahexylammonium, and tetradodechylammonium ions were calculated. And, the salvation numbers of corresponding ions were also calculated using the hydrodynamic and crystallographic radii and the volume of one pyridine molecule. From those results, the model of salvation for those ions was extracted by comparison with the model for ion salvation. And the electrostatic Gibbs free energy (ΔGel) fitted for our salvation model was calculated. Those of corresponding ions in pyridine at 25 ℃ also increased with increasing radii of tetraalkylammonium ions. This trend of ΔGel was explained by the different ion-solvent interaction between tetraalkylammonium ion and pyridine.

• Nuclear Engineering and Technology
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• v.53 no.3
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• pp.927-931
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• 2021

In this work, an attempt is made to improve the electrochemical corrosion resistance of Zircaloy-4 by helium ions implantation. For this purpose, the Zircaloy-4 was implanted with 300 keV helium ions of fluences 1 × 10¹³, 1 × 10¹⁵, and 1 × 10¹⁶ ions-cm^-2 by using Pelletron Accelerator. Electrochemical tests of pristine and ion-implanted samples were performed in NaCl solution and their potentiodynamic polarization curves were obtained. The results showed enhancement of the corrosion resistance of Zircaloy-4 after helium ions implantation. The corrosion rate and current density of the material were significantly reduced by the helium implantation. The decrease in corrosion parameters was attributed to helium ions diffusion inside Zircaloy-4 that reduced the electrons flow from the samples.

• Journal of Industrial Technology
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• v.15
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• pp.15-22
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• 1995

We have studied the generation and behavior of negative ions in silane plasmas. The negative ions were formed by homogeneous reaction in silane plasma and the behavior of negative ions were predicted by solving the model equations. The concentration profiles of negative ions were shown as a function of reactor length and time. The effects of process variables such as reactor pressure, flow rate and electrical field strengths on the behavior of negative ions were analyzed.

• Journal of the Korean Ceramic Society
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• v.13 no.2
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• pp.24-30
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• 1976

To observe the influence of tetrahedral and octahedral preference of cations of Ni2+, Ti4+ upon the formation and the color development of the MgO-SnO2 spinel containing Ni2+ and Ti4+ ions, the gradual substitution of Ni2+ ions for Mg2+ ions and of Ti4+ ions for Sn4+ ions of the spinel in NiO-MgO-SnO2-TiO2 system was carried out. On samples prepared by calcining the oxide and basic carbonate mixtures at 130$0^{\circ}C$ for 1.5 hour, the X-ray analysis, measurement of reflectance and the test of their stability as a glaze pigment were also carried out. On samples prepared by calcining the oxide and basic carbonate mixtures at 130$0^{\circ}C$ for 1.5 hour, the X-ray analysis, measurement of reflectance and the test of their stabiality as a glaze pigment were also carried out. The results are summarized as follows. 1) As increasing the amounts of Ni2+ ions in the xNiO.(2-x)MgO.SnO2 system, spinel was not formed easily, and the mixed-spinel was formed in NiO.MgO.SnO2 of x=1 but the spinels was not formed completely in the range of x>1.5 2) The spinels was not more formed in NiO-MgO-TiO2 system than NiO-MgO-SnO2 system. Therefore, Ti4+ ions have strong octahedral preference than Sn4+ ions. The color changed the yellow region little. The mixed-spinel or non-spinel was formed easily NiO.TiO2, MgO.TiO2 of illmenite type as the gradual substitution of Ti4+ ions for Sn4+ ions. 3) The results of glaze test. The color changed from white through graish brown to brown as the gradual substitution of Ni2+ ions for Mg2+ ions in calcium-zinc glaze and calcium glaze, and from white through light yellowish beige to dull beige in tile glaze. Also, the color did not change generally as the gradual substitution of Ti4+ ions for Sn4+ ions in NiO-MgO-SnO2-TiO2 system.

• Toxicological Research
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• v.30 no.2
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• pp.109-116
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• 2014

Glucosinolates (GLSs) are abundant in cruciferous vegetables and reported to have anti thyroidal effects. Four GLSs (sinigrin, progoitrin, glucoerucin, and glucotropaeolin) were administered orally to rats, and the breakdown products of GLSs (GLS-BPs: thiocyanate ions, cyanide ions, organic isothiocyanates, organic nitriles, and organic thiocyanates) were measured in serum. Thiocyanate ions were measured by colorimetric method, and cyanide ions were measured with CI-GC-MS. Organic isothiocyanates and their metabolites were measured with the cyclocondensation assay. Organic nitriles and organic thiocyanates were measured with EI-GC-MS. In all treatment groups except for progoitrin, thiocyanate ions were the highest among the five GLS-BPs. In the progoitrin treated group, a high concentration of organic isothiocyanates (goitrin) was detected. In the glucoerucin treated group, a relatively low amount of goitrogenic substances was observed. The metabolism to thiocyanate ions happened within five hours of the administration, and the distribution of GLSs varied with the side chain. GLSs with side chains that can form stable carbocation seemed to facilitate the degradation reaction and produce a large amount of goitrogenic thiocyanate ions. Because goitrogenic metabolites can be formed without myrosinase, the inactivation of myrosinase during cooking would have no effect on the anti-nutritional effect of GLSs in cruciferous vegetables.

• Nuclear Engineering and Technology
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• v.55 no.4
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• pp.1324-1331
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• 2023

In the present work, we carried out a molecular dynamics study of the kinetic properties of the FLiNaK molten salt, as well as a detailed study of the structure of this salt melt. The high value of the self-diffusion coefficient of fluorine ions is due to the large number of Coulomb repulsions between the most numerous negative ions. The calculated values of shear viscosity are in good agreement with the experimental data, as well as with the reference data obtained on the basis of finding the most reliable data. The total and partial functions of the radial distribution are calculated. According to the statistical analysis, fluorine ions have the greatest numerical diversity in the environment of similar ions, and sodium ions with the lowest representation in FLiNaK, have the least such diversity. For the subsystem of fluorine ions, the rotational symmetry of the fifth order is the most pronounced. Some of the fluorine ions form linear chains consisting of three atoms, which are not formed for positive ions. The results of the work give an understanding of the behavior molten FLiNaK under operating conditions in a molten salt reactor and will find application in future studies of this molten salt.

• Journal of Environmental Science International
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• v.24 no.2
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• pp.151-162
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• 2015

The adsorption characteristics of Sr ions and Cs ions in single and binary solution by zeolite A were investigated in batch experiment. The adsorption rate of Sr ions and Cs ions by zeolite A obeyed pseudo-second-order kinetic model in single and binary solution. The initial adsorption rates (h) and adsorption capacities of both ions obtained from pseudo-second-order kinetic model, and the values were decreased with increasing concentration of the competitive ions (0~1.5 mM). Also, adsorption isotherm data in binary solution were well fitted to the extended Langmuir model, the maximum adsorption capacities of Sr and Cs calculated from the model were 1.78 mmol/g and 1.64 mmol/g, respectively. The adsorption of Sr and Cs ions by zeolite A was carried out in the presence of other cations such as $Na^+$, $K^+$, $Mg^{2+}$ and $Ca^{2+}$. The results showed that the zeolite A can maintain a relatively high adsorption capacity for Sr and Cs ions and exhibits a high selectivity in the presence of competitive cations. The effect of competition had an order of $Ca^{2+}$ > $K^+$ > $Mg^{2+}$ > $Na^+$ for Sr ions and $K^+$ > $Ca^{2+}$ > $Na^+$ > $Mg^{2+}$ for Cs ions at the same cation concentration.

• Journal of Environmental Health Sciences
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• v.31 no.5 s.86
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• pp.387-397
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• 2005

In oder to understand the deposition possibility of water-soluble inorganic ions in the atmospheric fine particulates for the human respiratory tract, the mass size distribution of ion species was measured using an Anderson sampler in the Iksan during fall, 2004. Samples were analyzed for major water-soluble ions using Dionex DX-100 ion chromatograph. The size distribution of water-soluble inorganic ions in the atmospheric particulates appeared bimodal distribution, which were divided around $1-2{\mu}m$ into two groups. Mass site distribution of total ion in the coarse mode was found to be almost similar level during the sampling period, but fluctuations of mass size distribution in the fine mode were observed. Considering the mass size distribution of total ion concentrations for the respiratory deposition region, it was found that about 77.1% of total tons could be deposited in the alveolar region, and which dominated the daily variation of total ion concentrations. The concentration of total ions, which could be deposited in both the head region and the tracheobronchial region, was $3.95{\mu}g/m^3$, whereas that in the alveolar rerion was $13.28{\mu}g/m^3$. Dominant ions which could be deposited in the alveolar region were ${NO_3}{^-},\;{SO_4}^{2-}\;and\;{NH_4{^+}$, accounting for about 40%, 27% and 22% of the total ions, respectively. Although $K^+$ was approximately 3% of total ions, it was shown that most of this could be deposited in the alveolar region due to its high fraction of small size distribution originated from anthropogenic source of biomass burning. The presence of these ions in the fine mode may be of public health significance as they are very biologically harmful to health and have a high probability of being deposited in human lung tissue.