• 제목/요약/키워드: $S_nO_{2n}$

검색결과 3,359건 처리시간 0.032초

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

  • 김시조;김승준
    • 대한화학회지
    • /
    • 제53권5호
    • /
    • pp.512-520
    • /
    • 2009
  • 본 연구에서는 반응성이 큰 황이 산소와 결합하여 산화황이 되고 이것들이 클러스터를 이루었 을 때의 구조와 결합에너지에 대하여 조사하였다. $S_{n}O_{n},\;S_{n}O_{2n},\;S_{n}O_{3n}\;(n\;=\;1{\sim}4)$까지의 여러 가능한 분자 구조를 B3LYP/6-311G** 이론수준까지 최적화 하였으며, 단량체($SO,\;SO_2,\;SO_3$)가 증가할 때의 결합에너지를 MP2/6-311G** 수준까지 계산하였다. $SnOn\;(n\;=\;1{\sim}4)$의 경우 S-O 단량체 증가에 따라 상대적으로 안정화되는 경향이 강하게 나타났으며, 약 20-25 kcal/mol 정도 증가하는 것으로 예측 되었다. 반면 $S_nO_{2n},\;S_nO_{3n} \;(n\;=\;1{\sim}4)$의 경우에는 $SO_2$$SO_3$ 의 증가에 따른 열역학적 안정성이 상대적으로 덜 안정화 되는 것으로 나타났으며, SO2 단량체가 증가함에 따른 결합에너지 변화는 2.2 kcal/mol, 그리고 $SO_3$ 단량체가 증가함에 따라 흡열반응으로 나타나 열역학적으로 더욱 불안정해질 것으로 예상된다.

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

  • 박혜련;이오상;박희동;이재도
    • 한국재료학회지
    • /
    • 제2권5호
    • /
    • pp.330-336
    • /
    • 1992
  • 질화규소 소재로 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$O_2$의 4가지 조성을 선정하여 주상모양의 ${\beta}$-S${i_3}{N_4}$결정상을 성장시켰으며, XRD, SEM, 입도분석과 기계적 특성을 조사하였다. S${i_3}{N_4}$-8% ${Y_2}{O_3}$에서는 파괴인성값을 9.8MPa$m^{1/2}$까지 얻었으며 200$0^{\circ}C$에서 열처리한 후에도 파괴강도(>900MPa)의 감소없이 파괴인성이 8.0MPa$m^{1/2}$이상인 S${i_3}{N_4}$-6% ${Y_2}{O_3}$-2% ${l_2}{O_3}$, 와 S${i_3}{N_4}$-4% ${Y_2}{O_3}$-3% $A{A_2}{O_3}$를 얻었다. 질화규소의 파괴인성이 ${\beta}$-S${i_3}{N_4}$-결정상 크기의 증가에 따라 직선적으로 증가하는 관계를 갖는 파괴인성에 대한 미세구조의 영향을 고찰하였다.

  • PDF

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
    • /
    • 제23권6호
    • /
    • pp.851-856
    • /
    • 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.

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
    • 한국표면공학회지
    • /
    • 제44권5호
    • /
    • pp.201-206
    • /
    • 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.

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

  • Lee, Jaejin
    • Korean Journal of Mathematics
    • /
    • 제25권3호
    • /
    • pp.349-358
    • /
    • 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-점 평균 피벗 퀵정렬 (3-Points Average Pivot Quicksort)

  • 이상운
    • 한국인터넷방송통신학회논문지
    • /
    • 제14권6호
    • /
    • pp.295-301
    • /
    • 2014
  • 데이터를 정렬하는 방법들 중 O(n log n)보다 빠른 방법은 알려져 있지 않고 있으며, 가장 빠른 방법으로 퀵정렬이 있다. n개의 데이터에 대해 퀵정렬은 최적의 경우 O(n log n), 최악의 경우 $O(n^2)$ 수행 복잡도를 갖고 있다. 본 논문에서는 퀵정렬보다 빠르게 정렬하는 방법으로, 분할된 리스트의 첫 번째 L=a[s], 마지막 H=a[e]과 중간 $M=[{\lfloor}(s+e)/2{\rfloor}]$에 대해 P=(L+M+H)/3의 3-점 평균을 피벗값으로 결정하는 방법을 제안하였다. 실험 결과 제안된 3-점 평균 피벗 퀵정렬은 최적, 평균, 최악 모두 수행 복잡도가 O(n log n)으로 퀵정렬의 $O(n^2)$ 정렬 시간을 단축시킬 수 있었다.

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)] (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)])

  • 안상운
    • 대한화학회지
    • /
    • 제22권5호
    • /
    • pp.295-303
    • /
    • 1978
  • 정팔면체[Co(III)-$O_3N_3$], 정사면체[M(II)-$O_2N_2$] 및 정사각형형[M(II)-$O_2N_2$]형태 착물의 쌍극자모멘트를 중심이온의 valence basis sets와 리간드의 single basis 궤도함수($2p_z$)를 사용하여 spherical harmonics의 전개방법에 의하여 계산하였다. 이들 착물에 대하여 계산한 쌍극자모멘트의 값이 실험치와 일치하였다.

  • PDF

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

  • 강병욱;이학성;김희강
    • 한국대기환경학회지
    • /
    • 제13권5호
    • /
    • pp.333-343
    • /
    • 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.

  • PDF

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

  • 박용갑;장병국
    • 한국세라믹학회지
    • /
    • 제26권1호
    • /
    • pp.31-36
    • /
    • 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.

  • PDF

Depletion Kinetics of Ground State FeO Molecules by $O_2, N_2O, and \;N_2$

  • Son, H. S.
    • Bulletin of the Korean Chemical Society
    • /
    • 제21권6호
    • /
    • pp.583-587
    • /
    • 2000
  • Depletion kinetics of ground state FeO molecules by $0_2$, $N_2O$ and $N_2$ has been studied at room temperature. The ground state FeO molecules were generated by photolysis of a $Fe$(CO)_5$/M(O_2$, $N_2O)/He$ mixture using an unfocused weak UV laser beam. The formation of ground state FeO molecules was identified by a laser-induced fluorescence (LIF) method. The intensity distribution of those undisturbed rotational lines suggests that the rotational temperature of the ground state FeO molecules is lower than room temperature. The LIF intensities of FeO molecules at different partial pressures of $0_2$, $N_2O$ and $N_2$ were monitored as a function of the time delay between the photolysis and probe laser pulses to obtain the depletion rate constants for the ground state FeO. They were 1.7+ 0.2x $10^{-12}$, 4.8 $\pm0.4$ x $10^{-12}$, and $1.4\pm$ 0.2x $10^{-12}cm^3$molecule^{-1}s^{-1}$$ by $0_2$, $N_20$, and $N_2$, respectively.