• Title/Summary/Keyword: Geometry modeling

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Computational Fluid Dynamics Study of Channel Geometric Effect for Fischer-Tropsch Microchannel Reactor (전산유체역학을 이용한 Fischer-Tropsch 마이크로채널 반응기의 채널 구조 영향 분석)

  • Na, Jonggeol;Jung, Ikhwan;Kshetrimayum, Krishnadash S.;Park, Seongho;Park, Chansaem;Han, Chonghun
    • Korean Chemical Engineering Research
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    • v.52 no.6
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    • pp.826-833
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    • 2014
  • Driven by both environmental and economic reasons, the development of small to medium scale GTL(gas-to-liquid) process for offshore applications and for utilizing other stranded or associated gas has recently been studied increasingly. Microchannel GTL reactors have been prefrered over the conventional GTL reactors for such applications, due to its compactness, and additional advantages of small heat and mass transfer distance desired for high heat transfer performance and reactor conversion. In this work, multi-microchannel reactor was simulated by using commercial CFD code, ANSYS FLUENT, to study the geometric effect of the microchannels on the heat transfer phenomena. A heat generation curve was first calculated by modeling a Fischer-Tropsch reaction in a single-microchannel reactor model using Matlab-ASPEN integration platform. The calculated heat generation curve was implemented to the CFD model. Four design variables based on the microchannel geometry namely coolant channel width, coolant channel height, coolant channel to process channel distance, and coolant channel to coolant channel distance, were selected for calculating three dependent variables namely, heat flux, maximum temperature of coolant channel, and maximum temperature of process channel. The simulation results were visualized to understand the effects of the design variables on the dependent variables. Heat flux and maximum temperature of cooling channel and process channel were found to be increasing when coolant channel width and height were decreased. Coolant channel to process channel distance was found to have no effect on the heat transfer phenomena. Finally, total heat flux was found to be increasing and maximum coolant channel temperature to be decreasing when coolant channel to coolant channel distance was decreased. Using the qualitative trend revealed from the present study, an appropriate process channel and coolant channel geometry along with the distance between the adjacent channels can be recommended for a microchannel reactor that meet a desired reactor performance on heat transfer phenomena and hence reactor conversion of a Fischer-Tropsch microchannel reactor.

Solution Structure of 21-Residue Peptide (Asp 84-Leu 104), Functional Site derived from $p16^{INK4A}$ ($p16^{INK4A}$ 단백질 활성부위(Asp 84-Leu 104)의 용액상 구조)

  • Lee, Ho-Jin;Ahn, In-Ae;Ro, Seonggu;Choi, Young-Sang;Yoon, Chang No;Lee, Kang-Bong
    • Analytical Science and Technology
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    • v.13 no.4
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    • pp.494-503
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    • 2000
  • A 21-residue peptide corresponding to amino acids 84-104 of $p16^{INK4A}$, the tumor suppressor, has been synthesized and its structure was studied by Circular Dichroism, $^1H$ NMR spectroscopy and molecular modeling. A p16-derived peptide (84-104 amino acids) forming stable complex with CDK4 and CDK6 inhibits the ability of CDK4/6 to phosphorylate pRb in vitro, and blocks cell-cycle progression through G1/S phase as shown in the function of the full-length p16. Its NMR spectral data including NOEs, $^3J_{NH-H{\alpha}}$ coupling constants, $C_{\alpha}H$ chemical shift, the average amplitude of amide chemical shift oscillation and temperature coefficients indicate that the secondary structure of a p16-derived peptide is similar to that of the same region of full-length p16, which consists of helix-turn-helix structure. The 3-D distance geometry structure based on NOE-hased distance and torsion angle restraints is characterized by ${\gamma}$-turn conformation between residues $Gly^{89}-Leu^{91}$(${\varphi}_{i+1}=-79.8^{\circ}$, ${\varphi}_{i+1}=60.2^{\circ}$) as evidenced in a single crystal structure for the corresponding region of p18 or p19, but is undefined at both the N and C termini. This compact and rigid ${\gamma}$-turn region is considered to stabilize the structure of p16-derived peptide and serve as a site recognizing cyelin dependent kinase, and this well-defined ${\gamma}$-turn structure could be utilized for the design of anti-cancer drug candidates.

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CO2 Mineral Carbonation Reactor Analysis using Computational Fluid Dynamics: Internal Reactor Design Study for the Efficient Mixing of Solid Reactants in the Solution (전산유체역학을 이용한 이산화탄소 광물 탄산화 반응기 분석: 용액 내 고체 반응물 교반 향상을 위한 내부 구조 설계)

  • Park, Seongeon;Na, Jonggeol;Kim, Minjun;An, Jinjoo;Lee, Chaehee;Han, Chonghun
    • Korean Chemical Engineering Research
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    • v.54 no.5
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    • pp.612-620
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    • 2016
  • Aqueous mineral carbonation process, in which $CO_2$ is captured through the reaction with aqueous calcium oxide (CaO) solution, is one of CCU technology enabling the stable sequestration of $CO_2$ as well as economic value creation from its products. In order to enhance the carbon capture efficiency, it is required to maximize the dissolution rate of solid reactants, CaO. For this purpose, the proper design of a reactor, which can achieve the uniform distribution of solid reactants throughout the whole reactor, is essential. In this paper, the effect of internal reactor designs on the solid dispersion quality is studied by using CFD (computational fluid dynamics) techniques for the pilot-scale reactor which can handle 40 ton of $CO_2$ per day. Various combination cases consisting of different internal design variables, such as types, numbers, diameters, clearances and speed of impellers and length and width of baffles are analyzed for the stirred tank reactor with a fixed tank geometry. By conducting sensitivity analysis, we could distinguish critical variables and their impacts on solid distribution. At the same time, the reactor design which can produce solid distribution profile with a standard deviation value of 0.001 is proposed.

Microtube Light-Emitting Diode Arrays with Metal Cores

  • Tchoe, Youngbin;Lee, Chul-Ho;Park, Junbeom;Baek, Hyeonjun;Chung, Kunook;Jo, Janghyun;Kim, Miyoung;Yi, Gyu-Chul
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.287.1-287.1
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    • 2016
  • Three-dimensional (3-D) semiconductor nanoarchitectures, including nano- and micro- rods, pyramids, and disks, are emerging as one of the most promising elements for future optoelectronic devices. Since these 3-D semiconductor nanoarchitectures have many interesting unconventional properties, including the use of large light-emitting surface area and semipolar/nonpolar nano- or micro-facets, numerous studies reported on novel device applications of these 3-D nanoarchitectures. In particular, 3-D nanoarchitecture devices can have noticeably different current spreading characteristics compared with conventional thin film devices, due to their elaborate 3-D geometry. Utilizing this feature in a highly controlled manner, color-tunable light-emitting diodes (LEDs) were demonstrated by controlling the spatial distribution of current density over the multifaceted GaN LEDs. Meanwhile, for the fabrication of high brightness, single color emitting LEDs or laser diodes, uniform and high density of electrical current must be injected into the entire active layers of the nanoarchitecture devices. Here, we report on a new device structure to inject uniform and high density of electrical current through the 3-D semiconductor nanoarchitecture LEDs using metal core inside microtube LEDs. In this work, we report the fabrications and characteristics of metal-cored coaxial $GaN/In_xGa_{1-x}N$ microtube LEDs. For the fabrication of metal-cored microtube LEDs, $GaN/In_xGa_{1-x}N/ZnO$ coaxial microtube LED arrays grown on an n-GaN/c-Al2O3 substrate were lifted-off from the substrate by wet chemical etching of sacrificial ZnO microtubes and $SiO_2$ layer. The chemically lifted-off layer of LEDs were then stamped upside down on another supporting substrates. Subsequently, Ti/Au and indium tin oxide were deposited on the inner shells of microtubes, forming n-type electrodes of the metal-cored LEDs. The device characteristics were investigated measuring electroluminescence and current-voltage characteristic curves and analyzed by computational modeling of current spreading characteristics.

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A Waste Load Allocation Study for Water Quality Management of the Incheon Coastal Environment (인천해안의 수질관리를 위한 오염부하량 할당에 관한 연구)

  • Kim, So-Yeon;Choi, Jung-Hyun;Na, Eun-Hye;Park, Seok-Soon
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.1
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    • pp.43-51
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    • 2005
  • This paper presents a waste load allocation study for the Incheon coastal environment, where a computer model, called AQUASEA, was applied. A finite element mesh was constructed and refined to cover the complicated geometry of Incheon coastal sea. The tidal height at 13 places of Incheon coastal boundary and flow of the Han River were given as an input condition to the tidal simulation. All pollution sources that discharge into Incheon coast were given as input data to the water quality simulation. The modeled parameters include tidal flow and COD(Chemical Oxygen Demand). The model was calibrated and verified with the field measurements. The model results showed reasonable agreements with field measurements in both tidal flow and water quality. Systems analysis showed that the pollution load from the Han River caused recognizable impacts on the water quality of Incheon coast from Yeomhwa waterway to northern area of Younghungdo. The loads from Incheon City affected water quality from the area below Youngjongdo to the area above Jawalldo. The discharge from the Sihwa Lake caused discernible impacts on the coastal zone from the dike outlet to the Incheon harbor, and pollution loads from Kyungkido affected the sea near the Oido. An effective water quality management plan was developed from the waste load allocation analysis of the validated model, that the maximum waste loads can be discharged without violating the water quality standard given in the Incheon coastal environment.

Interoperability Analysis for BIM software Based on User-defined Properties (BIM 소프트웨어 호환성 분석 : 사용자정의 속성정보인 GBS를 중심으로)

  • Kang, Seunghee;Ha, Jiwon;Ju, Taehwan;Jung, Youngsoo
    • Korean Journal of Construction Engineering and Management
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    • v.17 no.2
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    • pp.99-109
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    • 2016
  • The utilization of Building Information Modeling (BIM) has increased in order to enhance the integration of information for management and resources throughout the construction projects. Therefore, various BIM softwares have been used under open BIM environments in the building and plant construction industry. However, it has obstructive factors due to the lack of interoperability. In order to address this problem, this study conducted an interoperability analysis of BIM software focused on user-defined properties for enhanced function and efficiency. Result of the analysis shows that authoring tools have more interoperability problems than viewer tools and simulation tools have. In terms of interoperability, user-defined properties outperforms than those of system basic properties and logic data. Therefore, it was found that functional improvement and workload minimization in BIM can be attained by applying the GBS (an user-defined property for automatic manipulation of BIM proposed by Jung et al. 2013) that enables automatic link between geometric data and non-geometric data. In this respect, this study concludes that the application of user-defined property (e.g. GBS) can be an effective method for information integration throughout construction projects.

Precision Validation of Electromagnetic Physics in Geant4 Simulation for Proton Therapy (양성자 치료 전산모사를 위한 Geant4 전자기 물리 모델 정확성 검증)

  • Park, So-Hyun;Rah, Jeong-Eun;Shin, Jung-Wook;Park, Sung-Yong;Yoon, Sei-Chul;Jung, Won-Gyun;Suh, Tae-Suk
    • Progress in Medical Physics
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    • v.20 no.4
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    • pp.225-234
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    • 2009
  • Geant4 (GEometry ANd Tracking) provides various packages specialized in modeling electromagnetic interactions. The validation of Geant4 physics models is a significant issue for the applications of Geant4 based simulation in medical physics. The purpose of this study is to evaluate accuracy of Geant4 electromagnetic physics for proton therapy. The validation was performed both the Continuous slowing down approximation (CSDA) range and the stopping power. In each test, the reliability of the electromagnetic models in a selected group of materials was evaluated such as water, bone, adipose tissue and various atomic elements. Results of Geant4 simulation were compared with the National Institute of Standards and Technology (NIST) reference data. As results of comparison about water, bone and adipose tissue, average percent difference of CSDA range were presented 1.0%, 1.4% and 1.4%, respectively. Average percent difference of stopping power were presented 0.7%, 1.0% and 1.3%, respectively. The data were analyzed through the kolmogorov-smirnov Goodness-of-Fit statistical analysis test. All the results from electromagnetic models showed a good agreement with the reference data, where all the corresponding p-values are higher than the confidence level $\alpha=0.05$ set.

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Assessment of Seismic Site Response at Hongseong in Korea Based on Two-dimensional Basin Modeling using Spatial Geotechnical Information (공간 지반 정보를 활용한 이차원 분지 모델링 기반의 국내 홍성 지역에서의 부지 지진 응답 평가)

  • Sun, Chang-Guk
    • The Journal of Engineering Geology
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    • v.19 no.1
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    • pp.15-23
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    • 2009
  • The site effects relating to the amplification of ground motion under earthquake loading are strongly influenced by both the subsurface soil condition and geologic structure. In this study, the site effects at the Hongseong area in Korea were examined by both the site investigation including borehole drilling and in-situ seismic tests and the site visit for acquiring geologic information of ground surface. Subsurface of Hongseong area with a major instrumental earthquake event in 1978 is composed of weathered layers of a maximum of 45 m thickness overlying bedrock. A geotechnical information system based on GIS framework was implemented to effectively find out spatial geologic structure of study area and it indicated Hongseong is a shallow and wide shaped basin. Two-dimensional finite element (FE) analyses for a representative cross-section of the Hongseong area were performed to evaluate seismic site responses. From the results of seismic responses, it was observed that the ground motions were amplified during the propagation of shear waves through the soil layer overlying the bedrock and the duration of shaking near the basin edges was prolonged due to the surface waves generated by interactions of shear waves with basin geometry. Furthermore, one-dimensional FE seismic response analyses were additionally conducted for soil sites selected in the basin, and it gives similar results to the two-dimensional seismic responses at most locations in the basin with the exception of the locations near the basin edges, because the basin in this study is very shallow and wide.

Spatial Interpolation of Hourly Air Temperature over Sloping Surfaces Based on a Solar Irradiance Correction (일사 수광량 보정에 의한 산악지대 매시기온의 공간내삽)

  • 정유란;윤진일
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.4 no.2
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    • pp.95-102
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    • 2002
  • Spatial interpolation has become a common procedure in converting temperature forecasts and observations at irregular points for use in regional scale ecosystem modeling and the model based decision support systems for resource management. Neglection of terrain effects in most spatial interpolations for short term temperatures may cause erroneous results in mountainous regions, where the observation network hardly covers full features of the complicated terrain. A spatial interpolation model for daytime hourly temperature was formulated based on error analysis of unsampled site with respect to the site topography. The model has a solar irradiance correction scheme in addition to the common backbone of the lapse rate - corrected inverse distance weighting. The solar irradiance scheme calculates the direct, diffuse and reflected components of shortwave radiation over any surfaces based on the sun-slope geometry and compares the sum with that over a reference surface. The deviation from the reference radiation is used to calculate the temperature correction term by an empirical conversion formula between the solar energy and the air temperature on any sloped surfaces at an hourly time scale, which can be prepared seasonally for each land cover type. When this model was applied to a 14 km by 22 km mountainous region at a 10 m horizontal resolution, the estimated hourly temperature surfaces showed a better agreement with the observed distribution than those by a conventional method.

Theoretical and quantitative structural relationships of the electrochemical properties of Cis-unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular complexes [X-UT-Y]@R (R = PCBM, p-EHO-PCBM, and p-EHO-PCBA)

  • Taherpour, Avat Arman;Biuki, Farzaneh
    • Journal of Information Display
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    • v.12 no.3
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    • pp.145-152
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    • 2011
  • Since the discovery of fullerenes as a class of nanostructure compounds, many potential applications have been suggested for their unusual structures and properties. The isolated pentagon rule (IPR) states that all pentagonal carbon rings are isolated in the most stable fullerene. Fullerenes $C_n$ are a class of spherical carbon allotrope group with unique properties. Electron transfer between fullerenes and other molecules is thought to involve the transfer of electrons between the molecules surrounding the fullerene cage. One class of electron transfer molecules is the methanofullerene derivatives ([6,6]-phenyl $C_{61}$-butyric acid methyl ester (PCBM), 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid methyl ester (p-EHO-PCBM), and 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid (p-EHO-PCBA), 10-12). It has been determined that $C_{60}$ does not obey IPR. Supramolecular complexes 1-9 and 10-12 are shown to possess a previously unreported host.guest interaction for electron transfer processes. The unsaturated, cis-geometry, thiocrown ethers, (1-9) (described as [X-UT-Y], where X and Y indicate the numbers of carbon and sulfur atoms, respectively), are a group of crown ethers that display interesting physiochemical properties in the light of their conformational restriction compared with a corresponding saturated system, as well as the sizes of their cavities. Topological indices have been successfully used to construct mathematical methods that relate structural data to various chemical and physical properties. To establish a good relationship between the structures of 1-9 with 10-12, a new index is introduced, ${\mu}_{cs}$. This index is the ratio of the sum of the number of carbon atoms ($n_c$) and the number of sulfur atoms ($n_s$) to the product of these two numbers for 1-9. In this study, the relationships between this index and oxidation potential ($^{ox}E_1$) of 1-9, as well as the first to third free energies of electron transfer (${\Delta}G_{et(n)}$, for n = 1-3, which is given by the Rehm-Weller equation) between 1-9 and PCBM, p-EHO-PCBM, and p-EHO-PCBA (10-12) as [X-UT-Y]@R(where R is the adduct PCBM, p-EHO-PCBM, and p-EHO-PCBA group) (13-15) supramolecular complexes are presented and investigated.