• 한국전산유체공학회:학술대회논문집
• /
• 한국전산유체공학회 2010년 춘계학술대회논문집
• /
• pp.562-566
• /
• 2010

Numerical analysis of 150kW Huels-type arc jet was performed using compressible Navier-Stokes CFD code. To consider chemical reaction by high temperature, the flow was assumed to be chemical equilibrium states. As a turbulence and a radiation model, the two-equation k-epsilon model and the 3-band radiation model were adopted, respectively. Mass flow rate and current density were given as conditions for calculations. In this study, two kinds of mechanisms for injection of air flow wire considered. One is that air is provided by left wall surface and the other is that air is injected from upper wall surface. The pressure, density and temperature contours of two cases were compared and heat transfer rates were estimated. The numerical results of two cases were not much different to each other. However, in real 150KW device, air is injected from upper wall surface with swirl. To calculate more accurately, swirl effect is must be considered.

• Bulletin of the Korean Chemical Society
• /
• 제25권6호
• /
• pp.791-795
• /
• 2004

The binding of cethyl trimethylammonium bromide, (CTAB) with human serum albumin (HSA) has been investigated at 5 mM phosphate buffer pH 7.0, 27 $^{\circ}C$ and various ionic strength using ion selective membrane electrodes. This method is faster and much more accurate than equilibrium dialysis technique, so provides sufficient and accurate data for binding data analysis. A novel and simple method was introduced for resolution and characterization of binding sets on basis of binding capacity concept. The values of Hill binding parameters were estimated for each set and used for calculation of intrinsic binding affinity. The results interpreted on basis of nature of forces which interfered in the interaction and represent the existence of three and two binding sets for binding of CTAB at $10^{-4}$ and $10^{-3}$ M of NaBr, respectively.

• Bulletin of the Korean Chemical Society
• /
• 제32권7호
• /
• pp.2301-2305
• /
• 2011

The potential energy surface (PES) for the loss of HCN or HNC from the pyrazine molecular ion was determined based on quantum chemical calculations using the G3//B3LYP method. Four possible dissociation pathways to form four $C_3H_3N^{+{{\bullet}}$ isomers were examined. A Rice-Ramsperger-Kassel-Marcus quasi-equilibrium theory model calculation was performed to predict the dissociation rate constant and the product branching ratio on the basis of the obtained PES. The resultant rate constant for the HCN loss agreed with the previous experimental result. The kinetic analysis predicted that the formation of $CH=CHN{\equiv}CH^{+{\bullet}}+HCN$ was predominant, which occurred by three consecutive steps, a C-C bond cleavage to form a linear intermediate, a rearrangement to form an H-bridged intermediate, and elimination of HCN.

• Nuclear Engineering and Technology
• /
• 제44권1호
• /
• pp.21-32
• /
• 2012

Fluorinated compounds mainly used in the semiconductor industry are potent greenhouse gases. Recently, thermal plasma gas scrubbers have been gradually replacing conventional burn-wet type gas scrubbers which are based on the combustion of fossil fuels because high conversion efficiency and control of byproduct generation are achievable in chemically reactive high temperature thermal plasma. Chemical equilibrium composition at high temperature and numerical analysis on a complex thermal flow in the thermal plasma decomposition system are used to predict the process of thermal decomposition of fluorinated gas. In order to increase economic feasibility of the thermal plasma decomposition process, increase of thermal efficiency of the plasma torch and enhancement of gas mixing between the thermal plasma jet and waste gas are discussed. In addition, noble thermal plasma systems to be applied in the thermal plasma gas treatment are introduced in the present paper.

• 한국전산유체공학회:학술대회논문집
• /
• 한국전산유체공학회 1999년도 추계 학술대회논문집
• /
• pp.42-47
• /
• 1999

In this study, we adopt the point symmetric Gauss-Seidel relaxation algorithm to obtain the steady state solution of the Navier-Stokes equations for the thermal and chemical nonequilibrium flow of air. All of the inviscid, viscous flux Jacobians and thermochemical source Jacobians are included in the implicit part Numerical simulation is performed for the thermal and chemical nonequilibrium flow over blunt body and computational results are presented. The convergence history and CPU time of the present computation are compared with the LU-SGS scheme which employs the approximate Jacobians.

• Bulletin of the Korean Chemical Society
• /
• 제27권11호
• /
• pp.1819-1824
• /
• 2006

The general objective of the present study was to investigate the potential application of the UV spectroscopic method for determination of the polymeric additives present in papermaking fibrous stock solutions. The study also intended to establish the surface-chemical retention model associated with the adsorption kinetics of additives on fiber surfaces. Polyamide epichlorohydrin (PAE) wet strength resin and imidazolinium quaternary (IZQ) softening agents were selected to evaluate the analytical method. Concentrations of PAE and IZQ in solution were proportional to the UV absorption at 314 and 400 nm, respectively. The time-dependent behavior of polymeric additives obeyed a mono-molecular layer adsorption as characterized in Langmuir-type expression. The kinetic modeling for polymeric adsorption on fiber surfaces was based on a concept that polymeric adsorption on fiber surfaces has two distinguishable stages including initial dynamic adsorption phase and the final near-equilibrium state. The simulation model predicted not only the real-time additive adsorption behavior for polymeric additives at high accuracy once the kinetic parameters were determined, but showed a good agreement with the experimental data. The spectroscopic method examined on the PAE and IZQ adsorption study could potentially be considered as an effective tool for the wet-end retention control as applied to the paper industry.

• 공업화학
• /
• 제19권1호
• /
• pp.59-65
• /
• 2008

비이온 계면활성제 $C_{12}E_8$ 마이셀에 의한 이성분 탄화수소 오일 혼합물 시스템의 가용화도(equilibrium solubilization capacity)를 $23^{\circ}C$에서 기체 크로마토그래피(GC)를 이용하여 측정하였다. 단일 성분의 탄화수소 오일 가용화도는 탄화수소 오일의 탄소수(ACN)가 증가함에 따라 거의 선형적으로 감소하였다. 한편 탄화수소 오일의 이성분 시스템은 사용한 두 탄화수소 오일의 탄소수(alkane carbon number, ACN) 차이에 따라 선택적 가용화 혹은 비선택적 가용화 경향을 나타내었다. 본 연구에서 가용화도 실험을 수행한 n-octane/n-nonane, n-nonane/n-decane과 n-decane/n-undecane 혼합물 시스템과 같이 이성분 탄화수소 혼합물의 탄소수 차이가 1인 경우에는 비선택적(non-selective) 가용화 경향을 나타내었다. 반면에 n-octane/n-decane과 n-octane/n-undecane 혼합물 시스템과 같이 탄소수 차이가 1보다 큰 경우에는 선택적(selective) 가용화 경향을 나타내었다.

• 한국추진공학회지
• /
• 제9권1호
• /
• pp.35-45
• /
• 2005

여러 고도에서 화학 반응과 열복사 효과가 로켓 플룸 유동에 미치는 영향을 살피기 위한 수치 연구를 수행하였다. 압축성 유동의 Navier-Stokes 방정식을 유한 체적법에 근거한 완전 내재적 TVD코드로 해석하였으며, 탄화수소 혼합물의 자세한 열화학적 속성을 고려한 화학 평형과 광학적으로 두꺼운 매체의 열복사를 유동 해석 코드에 포함하였다. 지상 마하수 0, 고도 5.06 km에서 마하수 1.16 그리고 17.34 km에서 마하수 2.90로 비행하는 등유 연료 로켓의 플룸 유동을 해석하였다. 해석 결과는 서로 다른 고도 조건에서의 플룸의 구조와 함께 화학 반응과 복사의 영향을 보여 주었다. 추진 성능과 기저부 열차단의 측면에서, 화학 반응에 의한 배출가스의 온도 상승은 특히 고고도에서 무시할 수 없음을 알 수 있었다.

• 전자공학회논문지D
• /
• 제35D권10호
• /
• pp.29-38
• /
• 1998

본 논문에서는 CZ 방법으로 성장된 실리콘에서 임의의 열처리 과정 또는 VLSI 공정중에 발생하는 산소석출물(oxygen precipitates)의 성장 및 감소에 대한 모델을 유도하고 수치해석법으로 시뮬레이션을 수행하여 모델에 대한 타당성을 검증하였다. 확산제한 성장법칙(diffusion-limited growth law)과 DBET(detailed balance equilibrium theory)를 이용하여 산소 석출물의 성장률과 감소율을 유도하고 이를 CREs(chemical rate equations)와 PFE (Fokker-Planck equation)이 결합된 식에 적용하여 수치해석법으로 풀었다. 또한 어닐링 분위기에 따라 표면에서 일어나는 현상을 달리 고려해야 하는데, 특히 O₂가스 분위기에서는 산화막이 성장되는 조건을 고려해야 하므로 산화막 성장 모델과 산소 용해도 증가등의 영향을 고려하였다. 이 방법으로 기존의 결과보다 더 정확하게 깊이에 따른 산소 농도의 분포와 산소 석출물의 밀도분포 함수를 계산할 수 있었다.

• Nuclear Engineering and Technology
• /
• 제49권1호
• /
• pp.148-164
• /
• 2017

The focus on the issues surrounding spent nuclear fuel and lifetime extension of old nuclear power plants continues to grow nowadays. A transparent decision-making process to identify the best suitable nuclear fuel cycle (NFC) is considered to be the key task in the current situation. Through this study, an attempt is made to develop an equilibrium model for the NFC to calculate the material flows based on 1 TWh of electricity production, and to perform integrated multicriteria decision-making method analyses via the analytic hierarchy process technique for order of preference by similarity to ideal solution, preference ranking organization method for enrichment evaluation, and multiattribute utility theory methods. This comparative study is aimed at screening and ranking the three selected NFC options against five aspects: sustainability, environmental friendliness, economics, proliferation resistance, and technical feasibility. The selected fuel cycle options include pressurized water reactor (PWR) once-through cycle, PWR mixed oxide cycle, or pyroprocessing sodium-cooled fast reactor cycle. A sensitivity analysis was performed to prove the robustness of the results and explore the influence of criteria on the obtained ranking. As a result of the comparative analysis, the pyroprocessing sodium-cooled fast reactor cycle is determined to be the most competitive option among the NFC scenarios.