• Title/Summary/Keyword: $S_nO_{3n}$

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DFT Study for the Thermodynamic Stability and Binding Energeticsof SnOn, SnO2n, SnO3n (n = 1~4) (SnOn, SnO2n, SnO3n (n = 1~4)의 열역학적 안정성과 결합에너지에 대한 DFT 이론 연구)

  • Kim, Si-Jo;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.53 no.5
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    • pp.512-520
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    • 2009
  • The theoretical calculations for $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}\;(n\;=\;1{\sim}4)$ have been considered at the B3LYP level of theory with various basis sets. The optimized geometries, harmonic vibrational frequencies, and binding energies are evaluated to elucidate the thermodynamic stability and spectroscopic properties. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. The binding energies due to increasing of $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}$ monomers are calculated at the MP2/6-311G** level of theory. For $S_nO_n\;(n\;=\;1{\sim}4)$, the binding energy difference is about 20∼25 kcal/mol by adding SO monomer. For $SO_2\;and\;SO_3\;(n\;=\;1{\sim}4)$, the binding energy differences are relatively small by comparing to $S_nO_n$.

Effect of Microstructures and Sintering Additives on the Mechanical Properties of Si$_3$N$_4$ (질화규소의 기계적 특성에 미치는 미세구조 및 소결조제의 영향)

  • Park, Hye-Ryeon;Lee, O-Sang;Park, Hui-Dong;Lee, Jae-Do
    • Korean Journal of Materials Research
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    • v.2 no.5
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    • pp.330-336
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    • 1992
  • Four distinctive hot pressed and heat treated S${i_3}{N_4}$ceramics, S${i_3}{N_4}$-8%${Y_2}{O_3}$, S${i_3}{N_4}$-6% ${Y_2}{O_3}$-2% $A{l_2}{O_3}$, S${i_3}{N_4}$-4% ${Y_2}{O_3}$-3% $A{l_2}{O_3}$, 그리고 S${i_3}{N_4}$-1% MgO-1% Si$O_2$(in wt%), were prepared and characterized by X-ray diffraction, scanning electron microscopy, image analysis and mechanical tests. The fracture toughness of S${i_3}{N_4}$-8% ${Y_2}{O_3}$specimens containing large elongated grains showed the highest value of about 9.8MPa$m^{1/2}$. Two out of four S${i_3}{N_4}$, ceramics(S${i_3}{N_4}$-6% ${Y_2}{O_3}$-2% $A{l_2}{O_3}$and S${i_3}{N_4}$-4% ${Y_2}{O_3}$-3% $A{l_2}{O_3}$) heat treated at 200 $0^{\circ}C$retained the fracture strength of over 900MPa and fracture toughness of over 8.0MPa$m^{1/2}$. Large ${\beta}$-S${i_3}{N_4}$grains having a diameter larger than 1${\mu}$m appeared to contribute to increase in fracture toughness.

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COMBINATORIAL PROOF FOR THE POSITIVITY OF THE ORBIT POLYNOMIAL $O^{n,3}_d(q)$

  • Lee, Jae-Jin
    • Journal of applied mathematics & informatics
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    • v.30 no.3_4
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    • pp.455-462
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    • 2012
  • The cyclic group $Cn={\langle}(12{\cdots}n){\rangle}$ acts on the set ($^{[n]}_k$) of all $k$-subsets of [$n$]. In this action of $C_n$ the number of orbits of size $d$, for $d|n$, is $$O^{n,k}_d=\frac{1}{d}\sum_{\frac{n}{d}|s|n}{\mu}(\frac{ds}{n})(^{n/s}_{k/s})$$. Stanton and White[7] generalized the above identity to construct the orbit polynomials $$O^{n,k}_d(q)=\frac{1}{[d]_{q^{n/d}}}\sum_{\frac{n}{d}|s|n}{\mu}(\frac{ds}{n})[^{n/s}_{k/s}]{_q}^s$$ and conjectured that $O^{n,k}_d(q)$ have non-negative coefficients. In this paper we give a combinatorial proof for the positivity of coefficients of the orbit polynomial $O^{n,3}_d(q)$.

CONSTRUCTIVE PROOF FOR THE POSITIVITY OF THE ORBIT POLYNOMIAL On,2d(q)

  • Lee, Jaejin
    • Korean Journal of Mathematics
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    • v.25 no.3
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    • pp.349-358
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    • 2017
  • The cyclic group $C_n={\langle}(12{\cdots}n){\rangle}$ acts on the set $(^{[n]}_k)$ of all k-subsets of [n]. In this action of $C_n$ the number of orbits of size d, for d | n, is $$O^{n,k}_d={\frac{1}{d}}{\sum\limits_{{\frac{n}{d}}{\mid}s{\mid}n}}{\mu}({\frac{ds}{n}})(^{n/s}_{k/s})$$. Stanton and White [6] generalized the above identity to construct the orbit polynomials $$O^{n,k}_d(q)={\frac{1}{[d]_{q^{n/d}}}}{\sum\limits_{{\frac{n}{d}}{\mid}s{\mid}n}}{\mu}({\frac{ds}{n}})[^{n/s}_{k/s}]_{q^s}$$ and conjectured that $O^{n,k}_d(q)$ have non-negative coefficients. In this paper we give a constructive proof for the positivity of coefficients of the orbit polynomial $O^{n,2}_d(q)$.

3-Points Average Pivot Quicksort (3-점 평균 피벗 퀵정렬)

  • Lee, Sang-Un
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.14 no.6
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    • pp.295-301
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    • 2014
  • In the absence of a sorting algorithm faster than O(n log n), Quicksort remains the best and fastest of its kind in practice. For given n data, Quicksort records running in O(n log n) at best and $O(n^2)$ at its worst. In this paper, I propose an algorithm by which 3-points average P=(L+M+H)/3 is set as a pivot for first array L=a[s], last array H=a[e], and middle array $M=a[{\lfloor}(s+e)/2{\rfloor}]$ in order to find the more fast than Quicksort. Test results prove that the proposed 3-points average pivot Quicksort has the time complexity of O(n log n) at its best, average, and worst cases. And the proposed algorithm can be reduce the $O(n^2)$ time of Quicksort to O(n log n).

Calculation of the Dipole Moment for Octahedral [Co(III)-$O_3N_3$], Tetrahedral [M(II)-$O_2N_2$] and Square Planner [M(II)-$O_2N_2$] Type Complexes [M(II) = Ni(II) or Cu(II)] (정팔면체 [Co(III)-$O_3N_3$], 정사면체 [M(II)-$O_2N_2$] 및 정사각형 [M(II)-$O_2N_2$] 형태 착물의 쌍극자모멘트의 계산 [M(II) = Ni(II) 또는 Cu(II)])

  • Ahn Sang Woon
    • Journal of the Korean Chemical Society
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    • v.22 no.5
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    • pp.295-303
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    • 1978
  • The dipole moments for octahedral [Co(III)-$O_3N_3$], tetrahedral [M(II)-$O_2N_2$] and square planar [M(II)-$O_2N_2$] types complexes are calculated by the expansion method for spherical harmonics using the valence basis sets for the central metal ion and the single basis set orbital ($2p_z$) for ligands. The calculated dipole moments for these complexes are in agreement with the experimental values.

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N,N'-Dimethylethylenediamine-N,N'-di-α-butyric Acid Cobalt(III) Complexes Utilizing Oxidation of Sulfur of S-Methyl-L-cysteine

  • Kim, Hyun-Jin;Youm, Kyoung-Tae;Yang, Jung-Sung;Jun, Moo-Jin
    • Bulletin of the Korean Chemical Society
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    • v.23 no.6
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    • pp.851-856
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    • 2002
  • The Reaction of S-methyl-S-cysteine(L-Smc) with racemic $s-cis-[Co(demba)Cl_2]-1$ (Hydmedba = $NN'-dimethylethylenediamine-NN'-di-\alpha-butyric$, acid) yields ${\Delta}$-s-cis-[Co(dmedba)(L-Smc)] 2 with N, O-chelation. Oxidation of sulfur of 2 with $H_2O_2$ in a 1 : 1 mole ratio gives ${\Delta}$-s-cis[Co(dmedba)(L-S(O)mc)] 3 having an uncoordinated sulfenate group. Oxidation of sulfur of L-Sm with $H_2O_2in$ a 1: 1 mole ratio produces S-methyl-L-cysteinesulfenate (L-S(O)me) 5. Direct reaction of 1 with 5 in basic medium gives an N.O-chelated ${\Delta}$s-cis[Co(dmedba)(L-S(O)mc)-N.O], which turmed out be same as obtained by oxidation of 2, while an N, S-chelated ${\Delta}$-s-cis-[Co(dmedba)(S-S(O)mc)-N,O] complex 4 is obtained in acidic medium from the reaction of 1 with 5. This is one of the rare $[$Co^{III}$(N_2O_2-type$ ligand)(amino acid)] type complex preparations, where the reaction conditions determine which mode of N, O and N, S caelation modes is favored.

A Seasonal Variation of Acidic Gases and Fine Particle Species in Chongju Area (청주지역 산성 가스상물질과 미세입자의 계절 변동 특성)

  • 강병욱;이학성;김희강
    • Journal of Korean Society for Atmospheric Environment
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    • v.13 no.5
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    • pp.333-343
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    • 1997
  • The cyclone/annular denuder system/filter pack sampling system (ADS) was used to collect the acidic air pollutants in Chongju city. The data set was collected on fifty -eight different days with 24 hour sampling period from October 27, 1995 through August 25, 1996. The chemical species measured were HN $O_3$, HN $O_2$, S $O_2$ and N $H_3$ in the gas phase, and PM2.5( $d_{p}$ <2.5 ${\mu}{\textrm}{m}$), S $O_4$$^{2-}$, N $O_3$$^{[-10]}$ and N $H_4$$^{+}$ in the Particulate Phase. Mean concentrations measured for this study were: 0.45 $\mu\textrm{g}$/㎥ for HN $O_3$, 3.39 $\mu\textrm{g}$/㎥ for HN $O_2$, 26.4 $\mu\textrm{g}$/㎥ for S $O_2$, 3.83$\mu\textrm{g}$/㎥ for N $H_3$, 44.2 $\mu\textrm{g}$/㎥ for P $M_{2.5}$, 8.22 $\mu\textrm{g}$/㎥ for S $O_4$$^{2-}$, 3.63 $\mu\textrm{g}$/㎥ for N $O_3$$^{[-10]}$ , and 2.84 $\mu\textrm{g}$/㎥ for N $H_4$$^{- }$. HN $O_3$ and N $H_3$ were higher during the summer. However, HN $O_2$ and S $O_2$ were higher during the fall and winter. P $M_{2.5}$ , S $O_4$/ sup 2-/ and N $H_4$$^{+}$ were not showed seasonal variations, but N $O_3$$^{[-10]}$ was higher in the winter.ter.r.

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Corrosion of Fe-2%Mn-0.5%Si Steels at 600-800℃ in N2/H2O/H2S Atmospheres

  • Kim, Min-Jung;Park, Sang-Hwan;Lee, Dong-Bok
    • Journal of the Korean institute of surface engineering
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    • v.44 no.5
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    • pp.201-206
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    • 2011
  • Fe-2%Mn-0.5%Si alloys were corroded at 600, 700 and $800^{\circ}C$ for up to 70 h in 1 atm of $N_2$ gas, or 1 atm of $N_2/H_2O$-mixed gases, or 1 atm of $N_2/H_2O/H_2S$-mixed gases. Oxidation prevailed in $N_2$ and $N_2/H_2O$ gases, whereas sulfidation dominated in $N_2/H_2O/H_2S$ gases. The oxidation/sulfidation rates increased in the order of $N_2$ gas, $N_2/H_2O$ gases, and, much more seriously, $N_2/H_2O/H_2S$ gases. The base element of Fe oxidized to $Fe_2O_3$ and $Fe_3O_4$ in $N_2$ and $N_2/H_2O$ gases, whereas it sulfidized to FeS in $N_2/H_2O/H_2S$ gases. The oxides or sulfides of Mn or Si were not detected from the XRD analyses, owing to their small amount or dissolution in FeS. Since FeS was present throughout the whole scale, the alloys were nonprotective in $N_2/H_2O/H_2S$ gases.

Synthesis of AlN-SiO2-Al2O3 System (AlN-SiO2-Al2O3계로부터 AlN-Polytypes의 제조)

  • 박용갑;장병국
    • Journal of the Korean Ceramic Society
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    • v.26 no.1
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    • pp.31-36
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    • 1989
  • In order to synthesize AlN-polytypes from AlN-SiO2-Al2O3 system, composition A (AlN/SiO2/Al2O3=1/0.3/0.05, mole ratio) and composition B(AlN-SiO2-Al2O3=1/0.2/0.05, mole ratio) were used. AlN-polytypes were produced by nitriding the mixture at 175$0^{\circ}C$~190$0^{\circ}C$ under N2 atmosphere. For lower reaction temperature, 15R phase was produced and in the case of higher reaction temperature, AlN phase was only produced. As each composition was heated at 185$0^{\circ}C$ in N2 atmosphere, produced main phases were 15R phase for composition A and 21R phase for composition B respectively. The fracture surfaces of produced reactants showed porous skeleton structure.

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