• Title/Summary/Keyword: computational investigation

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Computational Study of Energetic Salts Based on the Combination of Nitrogen-rich Heterocycles (질소가 풍부한 헤테로 고리화합물에 기초한 에너지 염의 고에너지 물질 성능에 대한 이론 연구)

  • Woo, Je-Hun;Seo, Hyun-Il;Kim, SeungJoon
    • Journal of the Korean Chemical Society
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    • v.66 no.3
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    • pp.185-193
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    • 2022
  • The theoretical investigation has been performed to predict thermodynamic stability, density, detonation velocity, and detonation pressure of energetic salts produced by pairing of nitrogen-rich anions (tetrazine, oxadiazole etc.) and cations (NH3OH+, NH2NH3+, CH9N6+, C2H6N5+). All possible geometries and the binding energy for the trigger bond of energetic salts have been optimized at the B3LYP/cc-pVDZ level of theory. The detonation velocity and detonation pressure have been calculated using Kamlet-Jacobs equation, while enthalpy has been predicted at the G2MP2 level of theory. The predicted results reveal that the energetic salts including small sized NH3OH+(1) and NH2NH3+(2) cations increase detonation property. And also the energetic salts including more amino group (-NH2) such as CH9N6+(3) cation increase thermodynamic stability. These results provide basic information for the development the high energy density materials (HEDMs).

Experimental and model study on the mixing effect of injection method in UV/H2O2 process

  • Heekyong Oh;Pyonghwa Jang;Jinseok Hyung;Jayong Koo;SungKyu Maeng
    • Membrane and Water Treatment
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    • v.14 no.3
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    • pp.129-140
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    • 2023
  • The appropriate injection of H2O2 is essential to produce hydroxyl radicals (OH·) by mixing H2O2 quickly and exposing the resulting H2O2 solution to UV irradiation. This study focused on evaluating mixing device of H2O2 as a design factor of UV/H2O2 AOP pilot plant using a surface water. The experimental investigation involved both experimental and model-based analyses to evaluate the mixing effect of different devices available for the H2O2 injection of a tubular hollow pipe, elliptical type of inline mixer, and nozzle-type injection mixer. Computational fluid dynamics analysis was employed to model and simulate the mixing devices. The results showed that the elliptical type of inline mixer showed the highest uniformity of 95%, followed by the nozzle mixer with 83%, and the hollow pipe with only 18%, after passing through each mixing device. These results indicated that the elliptical type of inline mixer was the most effective in mixing H2O2 in a bulk. Regarding the pressure drops between the inlet and outlet of pipe, the elliptical-type inline mixer exhibited the highest pressure drop of 15.8 kPa, which was unfavorable for operation. On the other hand, the nozzle mixer and hollow pipe showed similar pressure drops of 0.4 kPa and 0.3 kPa, respectively. Experimental study showed that the elliptical type of inline and nozzle-type injection mixers worked well for low concentration (less than 5mg/L) of H2O2 injection within 10% of the input value, indicating that both mixers were appropriate for required H2O2 concentration and mixing intensity of UV/ H2O2 AOP process. Additionally, the elliptical-type inline mixer proved to be more stable than the nozzle-type injection mixer when dealing with highly concentrated pollutants entering the UV/H2O2 AOP process. It is recommended to use a suitable mixing device to meet the desired range of H2O2 concentration in AOP process.

Optimization of impeller blade shape for high-performance and low-noise centrifugal pump (고성능 저소음 원심펌프 개발을 위한 임펠러 익형 최적설계)

  • Younguk Song;Seo-Yoon Ryu;Cheolung Cheong;Tae-hoon Kim;Junhyo Koo
    • The Journal of the Acoustical Society of Korea
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    • v.42 no.6
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    • pp.519-528
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    • 2023
  • The aim of this study was to enhance the flow rate and noise performance of a centrifugal pump in dishwashers by designing an optimized impeller shape through numerical and experimental investigations. To evaluate the performance of the target centrifugal pump, experiment was conducted using a pump performance tester and noise experiment was carried out in a semi-anechoic chamber with microphones and a reflecting wall behind the dishwasher. Through the use of advanced computational fluid dynamics techniques, numerical simulations were performed to analyze the flow and aeroacoustics performance of our target centrifugal pump impeller. To achieve this, numerical simulations were carried out using the Reynolds-Average Navier-Stokes equations and Ffowcs-Willliams and Hawkings equations as governing equations. In order to ensure the validity of numerical methods, a thorough comparison of numerical results with experimental results. After having confirmed the reliability of the current numerical method of this study, the optimization of the target centrifugal pump impeller was conducted. An improvement in flow rate was confirmed numerically, and a manufactured proto-type of the optimized model was used for experimental investigation. Furthermore, it was observed that by applying the fan law, we could effectively reduce noise levels without reducing the flow rate.

Investigation of thermal hydraulic behavior of the High Temperature Test Facility's lower plenum via large eddy simulation

  • Hyeongi Moon ;Sujong Yoon;Mauricio Tano-Retamale ;Aaron Epiney ;Minseop Song;Jae-Ho Jeong
    • Nuclear Engineering and Technology
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    • v.55 no.10
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    • pp.3874-3897
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    • 2023
  • A high-fidelity computational fluid dynamics (CFD) analysis was performed using the Large Eddy Simulation (LES) model for the lower plenum of the High-Temperature Test Facility (HTTF), a ¼ scale test facility of the modular high temperature gas-cooled reactor (MHTGR) managed by Oregon State University. In most next-generation nuclear reactors, thermal stress due to thermal striping is one of the risks to be curiously considered. This is also true for HTGRs, especially since the exhaust helium gas temperature is high. In order to evaluate these risks and performance, organizations in the United States led by the OECD NEA are conducting a thermal hydraulic code benchmark for HTGR, and the test facility used for this benchmark is HTTF. HTTF can perform experiments in both normal and accident situations and provide high-quality experimental data. However, it is difficult to provide sufficient data for benchmarking through experiments, and there is a problem with the reliability of CFD analysis results based on Reynolds-averaged Navier-Stokes to analyze thermal hydraulic behavior without verification. To solve this problem, high-fidelity 3-D CFD analysis was performed using the LES model for HTTF. It was also verified that the LES model can properly simulate this jet mixing phenomenon via a unit cell test that provides experimental information. As a result of CFD analysis, the lower the dependency of the sub-grid scale model, the closer to the actual analysis result. In the case of unit cell test CFD analysis and HTTF CFD analysis, the volume-averaged sub-grid scale model dependency was calculated to be 13.0% and 9.16%, respectively. As a result of HTTF analysis, quantitative data of the fluid inside the HTTF lower plenum was provided in this paper. As a result of qualitative analysis, the temperature was highest at the center of the lower plenum, while the temperature fluctuation was highest near the edge of the lower plenum wall. The power spectral density of temperature was analyzed via fast Fourier transform (FFT) for specific points on the center and side of the lower plenum. FFT results did not reveal specific frequency-dominant temperature fluctuations in the center part. It was confirmed that the temperature power spectral density (PSD) at the top increased from the center to the wake. The vortex was visualized using the well-known scalar Q-criterion, and as a result, the closer to the outlet duct, the greater the influence of the mainstream, so that the inflow jet vortex was dissipated and mixed at the top of the lower plenum. Additionally, FFT analysis was performed on the support structure near the corner of the lower plenum with large temperature fluctuations, and as a result, it was confirmed that the temperature fluctuation of the flow did not have a significant effect near the corner wall. In addition, the vortices generated from the lower plenum to the outlet duct were identified in this paper. It is considered that the quantitative and qualitative results presented in this paper will serve as reference data for the benchmark.

Using the METHONTOLOGY Approach to a Graduation Screen Ontology Development: An Experiential Investigation of the METHONTOLOGY Framework

  • Park, Jin-Soo;Sung, Ki-Moon;Moon, Se-Won
    • Asia pacific journal of information systems
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    • v.20 no.2
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    • pp.125-155
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    • 2010
  • Ontologies have been adopted in various business and scientific communities as a key component of the Semantic Web. Despite the increasing importance of ontologies, ontology developers still perceive construction tasks as a challenge. A clearly defined and well-structured methodology can reduce the time required to develop an ontology and increase the probability of success of a project. However, no reliable knowledge-engineering methodology for ontology development currently exists; every methodology has been tailored toward the development of a particular ontology. In this study, we developed a Graduation Screen Ontology (GSO). The graduation screen domain was chosen for the several reasons. First, the graduation screen process is a complicated task requiring a complex reasoning process. Second, GSO may be reused for other universities because the graduation screen process is similar for most universities. Finally, GSO can be built within a given period because the size of the selected domain is reasonable. No standard ontology development methodology exists; thus, one of the existing ontology development methodologies had to be chosen. The most important considerations for selecting the ontology development methodology of GSO included whether it can be applied to a new domain; whether it covers a broader set of development tasks; and whether it gives sufficient explanation of each development task. We evaluated various ontology development methodologies based on the evaluation framework proposed by G$\acute{o}$mez-P$\acute{e}$rez et al. We concluded that METHONTOLOGY was the most applicable to the building of GSO for this study. METHONTOLOGY was derived from the experience of developing Chemical Ontology at the Polytechnic University of Madrid by Fern$\acute{a}$ndez-L$\acute{o}$pez et al. and is regarded as the most mature ontology development methodology. METHONTOLOGY describes a very detailed approach for building an ontology under a centralized development environment at the conceptual level. This methodology consists of three broad processes, with each process containing specific sub-processes: management (scheduling, control, and quality assurance); development (specification, conceptualization, formalization, implementation, and maintenance); and support process (knowledge acquisition, evaluation, documentation, configuration management, and integration). An ontology development language and ontology development tool for GSO construction also had to be selected. We adopted OWL-DL as the ontology development language. OWL was selected because of its computational quality of consistency in checking and classification, which is crucial in developing coherent and useful ontological models for very complex domains. In addition, Protege-OWL was chosen for an ontology development tool because it is supported by METHONTOLOGY and is widely used because of its platform-independent characteristics. Based on the GSO development experience of the researchers, some issues relating to the METHONTOLOGY, OWL-DL, and Prot$\acute{e}$g$\acute{e}$-OWL were identified. We focused on presenting drawbacks of METHONTOLOGY and discussing how each weakness could be addressed. First, METHONTOLOGY insists that domain experts who do not have ontology construction experience can easily build ontologies. However, it is still difficult for these domain experts to develop a sophisticated ontology, especially if they have insufficient background knowledge related to the ontology. Second, METHONTOLOGY does not include a development stage called the "feasibility study." This pre-development stage helps developers ensure not only that a planned ontology is necessary and sufficiently valuable to begin an ontology building project, but also to determine whether the project will be successful. Third, METHONTOLOGY excludes an explanation on the use and integration of existing ontologies. If an additional stage for considering reuse is introduced, developers might share benefits of reuse. Fourth, METHONTOLOGY fails to address the importance of collaboration. This methodology needs to explain the allocation of specific tasks to different developer groups, and how to combine these tasks once specific given jobs are completed. Fifth, METHONTOLOGY fails to suggest the methods and techniques applied in the conceptualization stage sufficiently. Introducing methods of concept extraction from multiple informal sources or methods of identifying relations may enhance the quality of ontologies. Sixth, METHONTOLOGY does not provide an evaluation process to confirm whether WebODE perfectly transforms a conceptual ontology into a formal ontology. It also does not guarantee whether the outcomes of the conceptualization stage are completely reflected in the implementation stage. Seventh, METHONTOLOGY needs to add criteria for user evaluation of the actual use of the constructed ontology under user environments. Eighth, although METHONTOLOGY allows continual knowledge acquisition while working on the ontology development process, consistent updates can be difficult for developers. Ninth, METHONTOLOGY demands that developers complete various documents during the conceptualization stage; thus, it can be considered a heavy methodology. Adopting an agile methodology will result in reinforcing active communication among developers and reducing the burden of documentation completion. Finally, this study concludes with contributions and practical implications. No previous research has addressed issues related to METHONTOLOGY from empirical experiences; this study is an initial attempt. In addition, several lessons learned from the development experience are discussed. This study also affords some insights for ontology methodology researchers who want to design a more advanced ontology development methodology.

A Comparative Study on the Improvement of Curriculum in the Junior College for the Industrial Design Major (2년제 대학 산업디자인전공의 교육과정 개선방안에 관한 비교연구)

  • 강사임
    • Archives of design research
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    • v.13 no.1
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    • pp.209-218
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    • 2000
  • The purpose of this study was to improve the curriculum for industrial design department in the junior colleges. In order to achieve the purpose, two methodologies were carried out. First is job analysis of the industrial designers who have worked in the small & medium manufacturing companies, second is survey for the opinions of professors in the junior colleges. Some results were as follows: 1. The period of junior college for industrial designers is 2 years according to present. But selectively 1 year of advanced course can be established. 2. The practice subjects same as computational formative techniques needed to product development have to be increased. In addition kinds of selection subjects same as foreign language, manufacturing process, new product information and consumer behavior investigation have to be extended. 3. The next subjects need to adjust the title, contents and hours. (1) The need of 3.D related subjects same as computer modeling, computer rendering, 3.D modeling was high. The use of computer is required to design presentation subjects. (2)The need of advertising and sale related subjects same as printing, merchandise, package, typography, photography was low, the need of presentation techniques of new product development was high. (3) The need of field practice, special lecture on practice and reading original texts related subjects was same as at present, but these are not attached importance to form. As the designers feel keenly the necessity of using foreign language, the need of language subject was high.

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Numerical and Experimental Study on the Coal Reaction in an Entrained Flow Gasifier (습식분류층 석탄가스화기 수치해석 및 실험적 연구)

  • Kim, Hey-Suk;Choi, Seung-Hee;Hwang, Min-Jung;Song, Woo-Young;Shin, Mi-Soo;Jang, Dong-Soon;Yun, Sang-June;Choi, Young-Chan;Lee, Gae-Goo
    • Journal of Korean Society of Environmental Engineers
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    • v.32 no.2
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    • pp.165-174
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    • 2010
  • The numerical modeling of a coal gasification reaction occurring in an entrained flow coal gasifier is presented in this study. The purposes of this study are to develop a reliable evaluation method of coal gasifier not only for the basic design but also further system operation optimization using a CFD(Computational Fluid Dynamics) method. The coal gasification reaction consists of a series of reaction processes such as water evaporation, coal devolatilization, heterogeneous char reactions, and coal-off gaseous reaction in two-phase, turbulent and radiation participating media. Both numerical and experimental studies are made for the 1.0 ton/day entrained flow coal gasifier installed in the Korea Institute of Energy Research (KIER). The comprehensive computer program in this study is made basically using commercial CFD program by implementing several subroutines necessary for gasification process, which include Eddy-Breakup model together with the harmonic mean approach for turbulent reaction. Further Lagrangian approach in particle trajectory is adopted with the consideration of turbulent effect caused by the non-linearity of drag force, etc. The program developed is successfully evaluated against experimental data such as profiles of temperature and gaseous species concentration together with the cold gas efficiency. Further intensive investigation has been made in terms of the size distribution of pulverized coal particle, the slurry concentration, and the design parameters of gasifier. These parameters considered in this study are compared and evaluated each other through the calculated syngas production rate and cold gas efficiency, appearing to directly affect gasification performance. Considering the complexity of entrained coal gasification, even if the results of this study looks physically reasonable and consistent in parametric study, more efforts of elaborating modeling together with the systematic evaluation against experimental data are necessary for the development of an reliable design tool using CFD method.