• Title/Summary/Keyword: N$_2$O

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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 $S_nO_n$.

Does $N_2O$ react over oxygen vacancy on $TiO_2$(110)?

  • Kim, Bo-Seong;Kim, Yu-Gwon;Li, Z.;Dohnalek, Z.;Kay, B.D.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.196-196
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    • 2011
  • Molecular $N_2O$ has bee known to react over oxygen vacancy on a reduced rutile $TiO_2$(110)-1${\times}$1 surface to desorb as molecular $N_2$ leaving oxygen atom behind. In the present study, we investigated the reaction of $N_2O$ on rutile $TiO_2$(110) using temperature-programmed desorption (TPD). Our results indicate that $N_2O$ does not react over the oxygen vacancy under a typical UHV experimental condition. On a rutile $TiO_2$(110)-1${\times}$1 with a well-defined oxygen vacancy concentration of 5% ($2.6{\times}10^{13}/cm^2$), $N_2O$ desorption features show a monolayer peak maximum at 135 K followed by a small peak maximum at 170 K. When the oxygen vacancy is blocked with $H_2O$, the $N_2O$ peak at 170 K disappears completely, indicating that the peak is due to molecular $N_2O$ interacting with oxygen vacancy. The integrated amount of desorbed $N_2O$ plotted against the amount of adsorbed $N_2O$ however shows a straight line with no offset indicating no loss of $N_2O$ during our cycles of TPD measurements. In addition, our $N_2O$ uptake measurements at 70~100 K showed no $N_2$ (as a reaction product) desorption except contaminant $N_2$. Also, $H_2O$ TPD taken after $N_2O$ scattering up to 350 K indicates no change in the vacancy-related $H_2O$ desorption peak at 500 K showing no change in the oxygen vacancy concentration after the interaction with $N_2O$.

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Effect of Nitrous Oxide (N2O) Treatment on Quality of Peach (Prunus persica) Postharvest (복숭아(Prunus persica) 수확 후 아산화질소(N2O) 처리가 품질에 미치는 영향)

  • Nah, Hyun-Seok;Bae, Ro-Na;Lee, Seung-Koo
    • Horticultural Science & Technology
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    • v.30 no.1
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    • pp.42-49
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    • 2012
  • This experiment was conducted to find out the effects of nitrous oxide ($N_2O$) on the postharvest quality of 'Janghowon hwangdo' peach fruits. Fruits were harvested at commercial maturity for marketing in late September, and treated with 70% $N_2O$ + 20% $O_2$ + 10% air, 80% $N_2O$ + 20% $O_2$, and 90% $N_2O$ + 10% $O_2$ for 48 h, and then stored at $15^{\circ}C$. No significant treatments for soluble sugar and titratable acidity contents were detected. However, good appearance and taste in peach fruit were maintained better in 80% $N_2O$ treatment than in air treatment. The treatment with 90% $N_2O$ had negative effects on weight loss and taste because of rotting by anaerobic fermentation. 80% $N_2O$ treated fruit had significantly higher fungus (Botrytis cinerea) growth inhibition of saprogenic approximately than air treatment until 12 days of storage. The browning and rotting at surface of peach were also retarded when peaches were treated with 80% $N_2O$ before they were artificially wounded. The activity of polyphenol oxidase (PPO) was inhibited about 80% in peach of 80% $N_2O$ treatment compared with in air treatment. The result showed that 80% $N_2O$ treatment was able to extend the shelf life of peach fruits through maintaining taste and inhibition of softening and browning by rotting and wounding during storage.

Studies on the Molybdenum Complexes with Tetradentate Schiff Base Ligand (I). N,N'-bis (Salicylaldehyde)-ethylene Diimine (네자리 Schiff Base 리간드의 몰리브덴착물에 관한 연구 (제1보))

  • Jo, Gi Hyeong
    • Journal of the Korean Chemical Society
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    • v.18 no.4
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    • pp.267-271
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    • 1974
  • The tetradentate schiff base, N,N'-bis(salicylaldehyde)-ethylene diimine has been reacted with a series of Mo(IV), Mo(V), Mo(IV), and Mo(III) oxidation states to form new Complexes; $[MoO_2(C_{16}H_{14}O_2N_2)], (MoO(C_{16}H_{14}O_2N_2)]_2O, (Mo(SCN)(C_{16}H_{14}O_2N_2)]_2O, and (Mo(H_2O)(C_{16}H_{14}O_2N_2)]_2O.$ These complexes have hexa coordinated configurations and the mole ratio of these ions to the ligand was 1:1. These complexes have been identified by visible spectra, infrared specra, T.G.A., D.T.A., and elemental analysis.

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A Study of Nitrous Oxide Decomposition using Calcium Oxide (Calcium Oxide를 이용한 N2O 분해에 관한 CO2의 영향 연구)

  • Paek, Jin-Young;Park, Yeong-Sung;Shun, Dowon;Bae, Dal-Hee
    • Korean Chemical Engineering Research
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    • v.40 no.6
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    • pp.746-751
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    • 2002
  • Fluidized bed combustion is a coal combustion technology that can reduce both SOx and NOx emission; SOx is removed by limestone that is fed into the combustion chamber and the NOx is reduced by low temperature combustion in a fluidized bed combustor and air stepping, but $N_2O$ generation is quite high. $N_2O$ is not only a greenhouse gas but also an agent of ozone destruction in the stratosphere. The calcium oxide(CaO) is known to be a catalyst of $N_2O$ decomposition. This study of $N_2O$ decomposition reaction in fixed bed reactor packed over CaO bed has been conducted. Effects of parameters such as concentration of inlet $N_2O$ gas, reaction temperature, CaO bed height and effect of $CO_2$, NO, $O_2$ gas on the decomposition reaction have been investigated. As a result of the experiment, it has been shown that $N_2O$ decomposition reaction increased with the increasing fixed bed temperature. While conversion of the reaction was decreased with increasing $CO_2$ concentration. Also, under the present of NO, the conversion of $N_2O$ decomposition is decreased. From the result of kinetic study gained the heterogeneous reaction rate on $N_2O$ decomposition. In the case of $N_2O$ decomposition over CaO, heterogeneous reaction rate is. $\frac{d[N_2O]}{dt}=\frac{3.86{\times}10^9{\exp}(-15841/R)K_{N_2O}[N_2O]}{(1+K_{N_2O}[N_2O]+K_{CO_2}[CO_2])}$. In this study, it is found that the calcium oxide is a good catalyst of $N_2O$ decomposition.

The Development of N2O Emission Factor at Municipal Solid Waste Incinerator (도시고형폐기물 소각시설의 N2O 배출계수 개발)

  • Ko, Jae Churl;Choi, Sang Hyun
    • Clean Technology
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    • v.25 no.1
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    • pp.40-45
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    • 2019
  • In this study, nitrous oxide ($N_2O$) emission concentration was measured 3 times continuously for 24 hours from August 27, 2018 to October 22, 2018 and non-dispersive infrared (NDIR) spectrometer was used to calculate $N_2O$ concentration of exhaust gas from municipal solid waste (MSW) incinerator. As a result of $N_2O$ emission characteristics, it is estimated that $N_2O$ emission concentration is due to the difference of furnace temperature, oxygen concentration rather than the chemical component of waste. The measured $N_2O$ emission concentration of MSW incinerator was obtained in the range of 53.6 ~ 59.5 ppm and the total average concentration was measured 55.6 ppm. Therefore, the amount of $N_2O$ emissions calculated from the $N_2O$ concentration was $98.05kg\;day^{-1}$ on average and the amount of $N_2O$ distribution in the range of $90.41{\sim}108.44kg\;day^{-1}$ was obtained. As a result, the $N_2O$ emission factor of the MSW incinerator was estimated to be $1,066.13g_{N_2O}\;ton_{waste^{-1}}$. The estimated $N_2O$ emission factor of the MSW incinerator was 20 times higher than calculated emission factor used in the Tier 2 method. Consequently, it is considered that the method of calculating the amount of $N_2O$ emission in the MSW incineration facilities using waste type and incineration amount needs to be supplemented to ensure accuracy.

Effects of Oxide Additions on Mechanical Properties and Microstructures of AlN Ceramics Prepared from Al-isopropoxide (Al-isopropoxide로부터 제조한 AlN 세라믹스의 기계적 성질과 미세구조에 미치는 산화물 첨가제의 영향)

  • 이홍림;황해진
    • Journal of the Korean Ceramic Society
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    • v.27 no.6
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    • pp.799-807
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    • 1990
  • In this study, effects of oxide additives on mechanical properties and microstructure of A1N and A1N polytype ceramics were investigated. Fine A1N powder was synthesized by nitriding alumiuim hydroxide prepared from Al-isopropoxide, at 1350$^{\circ}C$ for 10h in N2 atmosphere. By adding 3w/o Y2O3, 0.56w/o CaO, and 10w/o SiO2 to AlN powder, AlN and AlN polytype ceramics were prepared by hot-pressing under the pressure of 30 MPa at 1800$^{\circ}C$ for 1h. AlN ceramics with no additives formed considerable amount of AlON phase, while AlN ceramics doped with Y2O3 or CaO decreased AlON phase and formed Y-Al or Ca-Al oxide compound. AlN+10w/o SiO2(+3w/o Y2O3) composition produced AlON and AlN polytype compound having 21R as a major phase. Room temperature flexural strength of AlN ceramics with no additive was 246MPa, and room temperature flexural strength and critical temperature difference by thermal shock(ΔTc) of AlN ceramics dooped with Y2O3 or CaO were 532MPa/340$^{\circ}C$ and 423MPa/300$^{\circ}C$, respectively. Y2O3 and CaO used as sintering agent played roles of densification and oxygen removal of AlN ceramics, and affected grain growth/grain morphologies of AlN ceramics.

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Simultaneous Catalytic Reduction of NO and N2O over Pd-Rh Supported Mixed Metal Oxide Honeycomb Catalysts - Use of H2 or CO as a Reductant (혼합금속산화물에 담지된 Pd-Rh의 허니컴 촉매에서 NO와 N2O의 동시 환원 - H2 또는 CO 환원제의 사용)

  • Lee, Seung Jae;Moon, Seung Hyun
    • Korean Chemical Engineering Research
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    • v.47 no.1
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    • pp.96-104
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    • 2009
  • In order to lower a reaction temperature with high conversions for simultaneous catalytic reduction of NO and $N_2O$ over Pd-Rh supported mixed metal oxide honeycomb catalysts, $H_2$ or CO was utilized as a reductant. When using the reductants, the effects of reaction conditions were examined in NO and $N_2O$ conversions, where reaction temperatures, concentrations of the reductants and oxygen and the concentration ratio of $N_2O$ to NO were varied. In using $H_2$ reductant, larger than 50% of NO and $N_2O$ conversions was observed at the temperatures below $200^{\circ}C$ in absence of $O_2$. In using CO reductant, NO and $N_2O$ conversions increased from the temperatures higher than $200^{\circ}C$ and $300^{\circ}C$, respectively. However, in use of both reductants, NO and $N_2O$ conversions decreased with increasing oxygen concentration. As a result, $H_2$ reductant could reduce simultaneously NO and $N_2O$ at relatively lower reaction temperature than CO. Also, NO and $N_2O$ conversions were less influenced by using $H_2$ reductant than CO one. Concentration ratio between NO and $N_2O$ did not affect their conversions regardless the type of reductants. Pretreatment of the catalyst in $H_2$ was more effective in simultaneous reduction of NO and $N_2O$ at low reaction temperature than that in $O_2$.

The Stability Constant of Transition and Lanthanide Metal Ions Complexes with 15 Membered Macrocyclic Azacrown Ligands (거대고리 아자크라운화합물과 전이금속 및 란탄족금속이온의 착물의 안정도)

  • Hong, Choon-Pyo;Choi, Yong-Gu;Choppin, G.R.
    • Journal of the Korean Chemical Society
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    • v.48 no.6
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    • pp.577-582
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    • 2004
  • The azacrown compounds, 1,4-dioxa-7,10,13-triazacyclopentadecane-N,N',N''-triacetic acid, $N-ac_3[15]aneN_3O_2(II_a)$ and 1,4-dioxa-7,10,13-triazacyclopentadecane-N,N',N''-tripropioc acid, $N-pr_3[15]aneN_3O_2(II_b)$ were synthesized by modified methods. Potentiometry was used to determine the protonation constant of the $N-ac_3[15]aneN_3O_2\;and\;N-pr_3[15]aneN_3O_2$. The stability constants of complexes of the trivalent metal ions of $Ce^{3+},\;Eu^{3+},Gd^{3+},and\;Yb^{3+}$ and divalent metal ions of $Co^{2+},\;Ni^{2+},\;Cu^{2+},\;and\;Zn^{2+}$ with the ligands $N-ac_3[15]aneN_3O_2\;and\;N-pr_3[15]aneN_3O_2$ have been determined at $25{\pm}0.1^{\circ}C$ in 0.1 M $NaClO_4$ solution by potentiometric methods. The metal ion affinities of the two triazamacrocyclic ligands with three pendant acetate or propionate groups are compared to those obtained for the similar ligands, 1,7-dioxa-4,10,13-triazacyclopentadecane-N,N',N''-triacetic acid, and 1,7-dioxa-4,10,13- triazacyclopentadecane-N,N',N''-tripropioc acid. The trends in stability of complexes for different metal ions due to changes in the nitrogen position of the donor atoms of the ligand are discussed.

Characteristics of $RuO_2$/n-GaN Schottky Diode ($RuO_2$/n-GaN 구조의 Schottky Diode 특성)

  • Kim, Dong-Sik
    • 전자공학회논문지 IE
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    • v.46 no.3
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    • pp.1-5
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    • 2009
  • In this paper, we study the electrical characteristics of $RuO_2$/n-GaN Schottky diodes fabricated by using electrochemical metallization. The solution for GaN Schottky electrodes of $RuO_2$ is perchloric acid($HClO_4$). Thickness of $RuO_2$ layer depend on supplied voltage and dipping time. We verified the possibility of the rectifying and non-rectifying devices' electrode which was depend on the thickness of $RuO_2$ layer.