• Title/Summary/Keyword: N-R Method

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The Crystal and Molecular Structures of Sulfametrole

  • Koo Chung Hoe;Chung Yong Je;Shin Hyun So;Suh Jung Sun
    • Bulletin of the Korean Chemical Society
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    • 제3권1호
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    • pp.9-13
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    • 1982
  • Sulfametrole, $C_9H_{10}N_4O_3S_2$, crystallizes in the monoclinic system, space group $P2_1/n$ , with a = 8.145(2), b = 16.505(4), c = 9.637(1)${\AA},{\beta}=103.72(1)^{\circ},D_m=1.52gcm^{-3}$,Z=4.Intensities for 3594(2143 observed) unique reflections were measured on a four-circle diffractometer with Mo $K{\alpha}$ radiation $({\lambda}=0.71069{\AA})$. The structure was solved by direct method and refined by full-matrix least squares to a final R of 0.070. The geometrical features of the thiadiazole ring indicate some ${pi}$-electron delocalization inside the ring. The least squares planes defined by the benzene and thiadiazole rings are nearly perpendicular to each other(dihedral angle; $93.9^{\circ}$ ). All the potential hydrogen-bond donor atoms in the molecule, N(1) and N(2), are included in the hydrogen bonding. The molecules through hydrogen bonding form three dimensional network.

Study on SiN and SiCN film production using PE-ALD process with high-density multi-ICP source at low temperature

  • Song, Hohyun;Seo, Sanghun;Chang, Hongyoung
    • Current Applied Physics
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    • 제18권11호
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    • pp.1436-1440
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    • 2018
  • SiN and SiCN film production using plasma-enhanced atomic layer deposition (PE-ALD) is investigated in this study. A developed high-power and high-density multiple inductively coupled plasma (multi-ICP) source is used for a low temperature PE-ALD process. High plasma density and good uniformity are obtained by high power $N_2$ plasma discharge. Silicon nitride films are deposited on a 300-mm wafer using the PE-ALD method at low temperature. To analyze the quality of the SiN and SiCN films, the wet etch rate, refractive index, and growth rate of the thin films are measured. Experiments are performed by changing the applied power and the process temperature ($300-500^{\circ}C$).

입상 활성탄에 대한 비스마르크 브라운 R 염료의 흡착평형, 동력학 및 열역학 파라미터에 관한 연구 (Adsorption Equilibrium, Kinetics and Thermodynamic Parameters Studies of Bismarck Brown R Dye Adsorption on Granular Activated Carbon)

  • 이종집
    • 공업화학
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    • 제24권3호
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    • pp.327-332
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    • 2013
  • 입상 활성탄에 대한 bismarck brown R의 흡착평형, 동력학 및 열역학 파라미터들을 회분식 실험을 통해 살펴보았다. 조작변수로서 초기농도, 접촉시간과 흡착온도의 영향을 조사하였다. 흡착평형자료는 선형회귀법을 사용하여 Langmuir와 Freundlich 흡착등온식에 대한 적합성을 평가하였다. 흡착평형은 Freundlich 흡착등온식이 더 잘 맞았으며, 계산된 분리계수(1/n) 값으로부터 입상 활성탄이 bismarck brown R을 효과적으로 처리할 수 있다는 것을 알 수 있었다. 동력학적 실험으로부터, 흡착공정은 유사이차반응속도식에 잘 맞으며, 속도상수($k_2$) 값은 온도가 증가할수록 증가하였다. 활성화에너지, 엔탈피, 엔트로피 및 Gibbs 자유에너지변화와 같은 열역학 파라미터들은 흡착공정의 특성을 평가하기 위하여 298~318 K의 온도 범위에서 조사하였다. 활성화 에너지의 계산값은 100 mg/L에서 8.73 kJ/mol로 입상 활성탄에 대한 bismarck brown R의 흡착이 물리적 공정임을 나타냈다. Gibbs 자유에너지변화의 음수값(${\Delta}G$ = -2.59~-4.92 kJ/mol)과 엔탈피변화의 양수값(${\Delta}H$ = +26.34 kJ/mol)은 흡착공정이 자발적이며 흡열과정으로 일어난다는 것을 나타냈다.

Flux 용융법에 의한 2차원 및 3 차원 구조의 티탄산칼륨 섬유의 합성 (Flux Melting Route to 2-and 3-dimensional Fibrous Potassium Titanates, K$_2Ti_{2n}O_{4n+1}$ (n = 2 and 3))

  • 최진호;한양수;송승완
    • 대한화학회지
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    • 제37권8호
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    • pp.765-772
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    • 1993
  • Flux인 $K_2MoO_4$와 섬유원료물질인 $K_2CO_3,\;TiO_2$를 혼합하고 1150$^{\circ}C$에서 용융시킨 다음 950$^{\circ}C$까지 서냉하여(서냉속도=5$^{\circ}C$/h) 층상구조를 갖는 사티탄산칼륨($K_2Ti_4O_9$)과 육티탄산칼륨($K_2Ti_6O_{13}$) 섬유를 합성하였다. Flux(F)와 출발원료물질(R)의 혼합비에 따른 최적 섬유성장 조건을 조사하기 위하여 F:R을 변화시키면서 반응시킨 결과 섬유의 결정상 및 성장속도가 F:R의 비에 크게 의존함을 알 수 있었으며 본 실험조건에서는 사티탄산칼륨과 육티탄산칼륨 모두 F:R=7:3 일 때 섬유의 성장이 가장 양호하였다. F:R = 7:3이고, 출발조성이 $K_2O{\cdot}4TiO_2$인 경우 생성물은 $K_2Ti_4O_9$과 약간의 $K_2Ti_6O_{13}$의 혼합상이 얻어졌으며 평균 섬유 길이는 ${\thickapprox}$ 4 mm 정도의 비교적 장섬유를 얻을 수 있었다. $K_2O{\cdot}6TiO_2$ 조성인 경우도 $K_2Ti_4O_9$의 혼합상이 형성되었고 섬유의 평균길이는 ${\thickapprox}$ 2 mm 정도임을 관찰할 수 있었다.

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NUCLEAR FUEL CYCLE COST ESTIMATION AND SENSITIVITY ANALYSIS OF UNIT COSTS ON THE BASIS OF AN EQUILIBRIUM MODEL

  • KIM, S.K.;KO, W.I.;YOUN, S.R.;GAO, R.X.
    • Nuclear Engineering and Technology
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    • 제47권3호
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    • pp.306-314
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    • 2015
  • This paper examines the difference in the value of the nuclear fuel cycle cost calculated by the deterministic and probabilistic methods on the basis of an equilibrium model. Calculating using the deterministic method, the direct disposal cost and Pyro-SFR (sodium-cooled fast reactor) nuclear fuel cycle cost, including the reactor cost, were found to be 66.41 mills/kWh and 77.82 mills/kWh, respectively (1 mill = one thousand of a dollar, i.e., $10^{-3}$ $). This is because the cost of SFR is considerably expensive. Calculating again using the probabilistic method, however, the direct disposal cost and Pyro-SFR nuclear fuel cycle cost, excluding the reactor cost, were found be 7.47 mills/kWh and 6.40 mills/kWh, respectively, on the basis of the most likely value. This is because the nuclear fuel cycle cost is significantly affected by the standard deviation and the mean of the unit cost that includes uncertainty. Thus, it is judged that not only the deterministic method, but also the probabilistic method, would also be necessary to evaluate the nuclear fuel cycle cost. By analyzing the sensitivity of the unit cost in each phase of the nuclear fuel cycle, it was found that the uranium unit price is the most influential factor in determining nuclear fuel cycle costs.

에너지 제약을 갖는 발전기를 고려한 경우의 Mixture of Cumulants Approximation법에 의한 발전시뮬레이션에 관한 연구 (The Probabilistic Production Simulation with Energy Limited Units Using the Mixture of Cumulants Approximation)

  • 송길영;김용하
    • 대한전기학회논문지
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    • 제40권12호
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    • pp.1195-1202
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    • 1991
  • This paper describes a newly developed method of production simulation by using the Mixture of Cumulant Approximation (MOCA). In this method, the load is modelled as random variable (r.v.) which can be interpreted in terms of partitioning the load into various categories. We can consider the load shape of multi-modal characteristics. The number of load category and demarcation points of each load category are calculated automatically by using interpolation and least square method. Each generating unit of a supply system is modelled as r.v. of unit outage capacity according to the number of unit outage subset. Since the computation burden of each subset's moments increases exponentially as units are convolved to the system, we further derive the specific recursive formulae. In simulating the energy limited units, hydro unit simulation is performed using Energy Invariance Property and the simulation of pumped storage unit is modelled as compulsory and economic operations. The proposed MOCA method is applide to the test systems and the results are compared with those of cumulant and Booth Baleriaux method. It is verified that the MOCA method is considerably reliable and stable both pathological and well behaved system.

잉크젯 헤드의 공진주파수에 따른 구동파형을 이용한 개별노즐 제어 (Driving Per Nozzle By Various Waveform Depending On Resonance Frequency In Piezoelectric Inkjet Head)

  • 김영재;박창성;심원철;강필중;유영석;박정훈;정재우;오용수
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2007년도 제38회 하계학술대회
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    • pp.1542-1543
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    • 2007
  • This paper presents the effect of driving waveform for piezoelectric bend mode inkjet printhead with optimized mechanical design. Experimental and theoretical studies on the applied driving waveform versus jetting characteristics were performed. The inkjet head has been designed to maximize the droplet velocity, minimize voltage response of the actuator and optimize the firing frequency to eject ink droplet. The head design was carried out by using mechanical simulation. The printhead has been fabricated with Si(100) and SOI wafers by MEMS process and silicon direct bonding method. To investigate how performance of the piezoelectric ceramic actuator influences on droplet diameter and droplet velocity, the method of stroboscopy was used. Using the water based ink of viscosity of 11.8 cps and surface tension of 0.025N/m, it is possible to eject stable droplets through 64 nozzles average velocity of 4.05 m/s with standard deviation of 0.06 m/s and average diameter of $29.2\;{\mu}m$ with standard variation of $0.5\;{\mu}m$.

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실공간 TB-LMTO-recursion 전자구조 방법에 의한 자성연구 : Fe, Co, Ni (Real-space TB-LMTO-recursion Electronic Structure Calculations for Ferromagnetic Fe, Co, and Ni)

  • 박진호;조화석;윤석주;민병일
    • 한국자기학회지
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    • 제5권5호
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    • pp.846-853
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    • 1995
  • 국소섭동을 포함하는 비대칭성 계의 전자구조 물성을 연구하기 위해서 밀접 결합 (tight-binding ; TB) linear-muffin-tin-orbital(LMTO) 방법과 회귀(recursion ; R) 방법을 결합한 실공간 전자구조 방법인 제일원리-자체충족적-스핀분극 TB-LMTO-R 방법을 개발하였다. 이 방법을 강자성 물질인 bcc Fe, hcp Co, fcc Ni등에 적용하여 송이의 크기, 회귀 계수, TB-LMTO Hamiltonian의 차수등을 변화시키며 국소 상태밀도와 자기 모멘트등의 수치적 수렴도를 고찰하였다. 송이 크기는 5,000개 원자 이상, 연속 분수 계수 n은 40이상, TB-LMTO Hamiltonian의 차수는 2차 이상이며 TB-LMTO-R 방법이 기존의 LMTO 방법의 결과와 거의 일치하는 결과를 준다는 사실을 얻었고 실공간 전자 구조 방법으로 TB-LMTO-R 방법의 충분한 신뢰도를 확인 하였다.

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A New Chemiluminescence Method for Determination of Cytosine Arabinoside in Pharmaceutical Preparations

  • Cai, Z.;Zhang, X.;Lu, D.F.;Gan, J.N.
    • Bulletin of the Korean Chemical Society
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    • 제33권1호
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    • pp.171-176
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    • 2012
  • A novel chemiluminescence (CL) system was established for the determination of cytosine arabinoside (Ara-C) in pharmaceutical preparations. It was showed that a clear CL signal was observed when Eosin Y mixed with Fenton reagent. The CL intensity was decreased significantly when Ara-C was added to the reaction system and partially scavenged the hydroxyl radicals in the solution. The extent of decrease in the CL intensity had a good stoichiometrical relationship with the Ara-C concentration. Based on this, we developed a new method for the determination of Ara-C using a flow injection analysis (FIA) technique with CL detection. Under the optimal conditions, the linear range of Ara-C concentration was $6.0{\times}10^{-9}\sim1.0{\times}10^{-7}mol/L$ (R = 0.9982) with a detection limit of $7.6{\times}10^{-10}mol/L$ (S/N=3), the RSD was 5.6% for $6.0{\times}10^{-8}mol/L$ Ara-C (n = 11). The method was successfully applied to the determination of Ara-C in injection samples. The possible chemiluminescence reaction mechanism was discussed.

Determination of N-nitrosodimethylamine in zidovudine using high performance liquid chromatography-tandem mass spectrometry

  • Yujin Lim;Aelim Kim;Yong-Moon Lee;Hwangeui Cho
    • 분석과학
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    • 제36권6호
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    • pp.281-290
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    • 2023
  • Zidovudine is an antiretroviral agent prescribed for the prevention and treatment of human immunodeficiency virus/acquired immune deficiency syndrome (HIV/AIDS). It is typically recommended to be used in combination with other antiretroviral drugs. Zidovudine has the potential to generate N-nitrosodimethylamine (NDMA) in the presence of dimethylamine and nitrite salt under acidic reaction conditions during the drug manufacturing process. NDMA is a potent human carcinogen that may be detected in drug substances or drug products. An analytical method was developed to determine NDMA in pharmaceuticals including zidovudine using high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). The analysis involved reversed-phase chromatography on a Kinetex F5 column with a mobile phase comprising water-acetonitrile mixtures. The detection of positively charged ions was conducted using atmospheric pressure chemical ionization (APCI). The calibration curve demonstrated excellent linearity (r = 0.9997) across the range of 1-50 ng/mL with a highly sensitive limit of detection (LOD) at 0.3 ng/mL. The developed method underwent thorough validation for specificity, linearity, accuracy, precision, robustness, and system suitability. This sensitive and specific analytical method was applied for detecting NDMA in zidovudine drug substance and its formulation currently available in the market, indicating its suitability for drug quality management purposes.