• Bulletin of the Korean Chemical Society
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• v.17 no.1
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• pp.43-45
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• 1996

Structural and electronic properties of an alkali metal fulleride, Rb1C60, was studied. In spite of the chain structure with shortdistance between balls along the crystallographic a-direction, the electronic structure calculation study with the X-ray defined crystal structure shows that Rb1C60 is a three-dimensional metal at room temperature. This result is different from the magnetic experiments in which the compound was found to behave as a quasi-one-dimensional metal. Partial Fermi surface nesting is supposed to be the reason for the metal-insulator transition found in Rb1C60 at ∼50 K.

• Analytical Science and Technology
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• v.6 no.3
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• pp.261-265
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• 1993

The ion exchange capacity of DBPDA ion exchanger, {(4,5):(13,14)-dibenzo-6, 9, 12-trioxa-3, 15, 21-triazabicyclo [15.3.1] heneicosa-1(21), 17, 19-triene-2, 16-dione : DBPDA ion exchanger} was 4.2meq/g. The distribution coefficients of alkali and alkaline earth metal ions in the various concentrations of hydrochloric acid were determined using DBPDA ion exchanger. Also alkali and alkaline earth metal ions were separated using DBPDA ion exchanger. From these results the effect of pH of solution and ionic radii of the metal ions on the distribution coefficients of alkali and alkaline earth metal ions were discussed.

• Bulletin of the Korean Chemical Society
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• v.12 no.5
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• pp.487-490
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• 1991

Electrochemical studies of alkali metal cations $(Na^+, K^+, Rb^+, Cs^+)$ were performed in methanolic solutions of 18-crown-6 and tetrabutylammonium salts at dropping mercury electrodes (DME) and thin mercury film electrodes (TMFE). All the cations investigated were reduced reversibly at DME in the absence and presence of 18-crown-6, and in the latter the limiting currents were decreased and the reduction potentials shifted to the negative direction. The reduction potentials of the metal ions (0.2 mM) in the presence of the crown (10 mM) were - 2.14 $(Na^+)$, - 2.26 $(K^+)$, - 2.20 $(Rb^+) and - 2.14 $(Cs^+)$ V vs. SCE, respectively. The measured potentials were rationalized with ion recognition of the cations by the crown. Electroreduction at TMFE were highly irreversible. A new representation method of ion recognition is presented. In aqueous solutions, electroreduction of the alkali metal ions were characterized by adsorption.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.26 no.6
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• pp.238-242
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• 2016

The effect of the alkali, alkali earth metal elements on selective catalytic reduction(SCR) catalyst deactivation behavior were investigated in terms of microstructure, surface area, pore volume and De-NOx test. Poisoned SCR catalyst were manufactured by injection of $K_2CO_3$, $Na_2CO_3$, $Ca(CH_3COO)_2{\cdot}H_2O$, $C_4H_6MgO_4{\cdot}4H_2O$, $H_3PO_4$ solutions in the new SCR catalyst at $350^{\circ}C$ for 6 hours. New and poisoned catalysts surface were similar. But specific surface area, pore volume decrease from Na, Mg, K, Ca, P compared to new SCR catalyst. Especially, Na poisoned catalyst surface area and pore size extremely decreased by $10.20m^2/g$, $0.061cm^2/g$. De-NOx test results of new and poisoned catalysts at $150{\sim}450^{\circ}C$ indicated that alkali metal (K, Na) poisoned SCR catalysts have the lowest De-NOx efficiency, alkali earth metal poisoned SCR catalysts (Ca, Mg) De-NOx efficiency are higher than alkali metal poisoned SCR catalysts. P poisoned SCR catalyst De-NOx efficiency is similar new SCR catalyst. It were considered that physical deactivation of SCR catalyst was affected by SCR catalyst surface area and pore volume change.

• The Korean Journal of Ecology
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• v.21 no.5_1
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• pp.457.1-463
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• 1998

the research has been made for alkali and metal element concentrations in top soils and plants from the abandoned coal mine, Keumsan, Chungnam Province. Samples of the top soil and plant (Miscanthus sinensis and Pinus rigida) were collected from the mine area in which was divided into t재 regions the polluted region influenced by the coal mining and the non-polluted region. pH of the top soils was 3.16-4.33 in the polluted region. Ca, Sr and P concentrations were high in the polluted soils, and Al and Ba concentrations were high in the non-polluted soils. No differences were found in K, Na and Ti concentrations. M. sinensis was higher in the element concentrations than P. rigida. In the average concentration of the alkali and metal element, M. sinensis showed high Cs and Na in the polluted region, and high Ba, Ca, K, Sr and concentrations in the non-polluted region. P. rigida had high Cs, Na and Rb concentrations in the polluted region. M. sinensis and P. rigida were higher in the root than above-ground part in the most element, but Ca and K. Ca, K and Na concentrations within both plants had higher than those of soils.

• Bulletin of the Korean Chemical Society
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• v.25 no.6
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• pp.847-851
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• 2004

The complexation characteristics of tetramethyl (1) and tetraethyl esters (2) of p-tert-butylcalix[4]arene with alkali metal cations have been investigated by ab initio calculation. The structures of endo- or exocomplexation of the hosts in cone conformation with alkali metal ions have been optimized using HF/6-31G method followed by B3LYP/6-31G(d) single point calculation. B3LYP/6-31G(d) calculations suggest that exo-complexation efficiencies of sodium ion to the cavity of lower rim of hosts 1 and 2 are 27.1 and 25.8 kcal/mol better than that of potassium ion, respectively. The exo-complexation efficiencies of potassium ion to the cavity of lower rim of hosts 1 and 2 are 33.3 and 31.5 kcal/mol better than the endo-complexation inside the upper rim (four aromatic rings) as expected from the experimental results. B3LYP/6-31G(d) calculation of the ethyl ester 2 shows 29.5 and 30.8 kcal/mol better exo-complexation efficiency for both sodium and potassium ions than the methyl ester 1.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3321-3330
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• 2012

The complexation characteristics of mixed [2 + 2'] calix[4]aryl derivatives (3 and 4) with alkali metal cations were investigated by the mPW1PW91 (hybrid HF-DF) calculation method. The total electronic and Gibbs free energies of the various complexes (cone, partial-cone, 1,2-alternate, and 1,3-alternate) of sodium and potassium cations with 3 and 4 were analyzed and compared. The structures of the endo- or exo-complexes of the alkali metal cation with the host 3 were optimized using the mPW1PW91/6-31G(d) method, followed by mPW1PW91/6-311+G(d) calculations. The structures of the endo- or exo-complexes of the alkali metal cation with the host 4 were optimized using the mPW1PW91/6-31G(d,p) method. The mPW1PW91 calculated relative energies of the various conformations of the free hosts (3 and 4) suggest that the cone conformers of 3 and 4 are the most stable. The mPW1PW91calculations also suggest that the complexation efficiencies of the sodium ion with hosts 3 and 4 are about 24 and 27 kcal/mol better than those of the potassium ion, respectively. These trends are in good agreement with the experimental results. The exo-complexation efficiencies of the sodium ion toward the conformers of hosts 3 and 4 are roughly 14 and 17 kcal/mol better than those for the endo-$Na^+$-complexes of 3 and 4, respectively. The exo-complexation of the cone isomer of 3 with cation could be confirmed by the differences of the diagnostic C=O bands in the free host and its complex's IR spectra.

• Journal of the Korean Chemical Society
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• v.42 no.6
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• pp.696-702
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• 1998

The effect of alkali metal salt on the activity of Co-Mo catalyst which has high resistance to sulfur poisoning for water gas shift reaction(WGSR) was studied. Two groups of catalysts were prepared to investigate the effects of anion and cation in alkali metal salts. For K-doped catalysts made with various potassium salts having different anion, the catalytic activity was explained to depend mainly on the BET surface area. Among the catalysts prepared by various nitrates of alkali metal as precursor, the Li-doped catalyst showed the best activity, and the others did not make significant differences giving relatively low activities. And the change of BET surface area by varying the loading of alkali metal showed a similar trend to that of activity. In this case, the activity was dependent on both BET surface area and the ratio of $Mo^{6+}$ with a tetrahedral coordination symmetry to $Mo^{6+}$ with an octahedral one, $Mo^6+[T]/Mo^{6+}[O]$ value.

• Proceedings of the KSME Conference
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• 2000.04b
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• pp.956-961
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• 2000

This paper describes the design of a small size Alkali Metal Thermal to Electric Converter (AMTEC) which employs a capillary structure for recirculating sodium working fluid. The cycle is based on the simple and small capillary type ${\beta}"$ -alumina and wick tube element. The proposed cell consists of the 37 conversion elements with capillary tube of $50{\mu}m$ in diameter and the sealed cylindrical vessel of 22mm in outer diameter. Results on the cycle analysis of sodium flow and heat transfer in the cell showed that the expected power output was 4.65W and the conversion efficiency was 19% for the source temperature of 900K.

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1129-1135
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• 1999

Free energy perturbation and molecular dynamics simulations were carried out to investigate the relative binding affinities of [17] ketonand (1) toward alkali metal cations in methanol. The binding affinities of 1 toward the alkali metal cations were calculated to be in the order Li+ > Na+ > K+ > Rb+ > Cs+, whereas our recent theoretically predicted and experimentally observed binding affinities for [18]starand (2) were in the order K+ > Rb+ > Cs+ > Na+ > Li+. The extremely different affinities of 1 and 2 toward smaller cations, Li + and Na+ , were explained in terms of the differences in their ability to change the conformation to accommodate cations of different sizes. The carbonyl groups constituting the central cavity of 1 can reorganize to form a cavity with the optimal M+ -O distance, even for the smallest Li+, without imposing serious strain on 1. The highest affinity of 1 for Li+ was predominantly due to the highest Coulombic attraction between the smallest Li+ and the carbonyl oxygens of 1.