• Title/Summary/Keyword: Reaction model

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Prediction of temperature distribution in hardening silica fume-blended concrete

  • Wang, Xiao-Yong
    • Computers and Concrete
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    • v.13 no.1
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    • pp.97-115
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    • 2014
  • Silica fume is a by-product of induction arc furnaces and has long been used as a mineral admixture to produce high-strength, high-performance concrete. Due to the pozzolanic reaction between calcium hydroxide and silica fume, compared with that of Portland cement, the hydration of concrete containing silica fume is much more complex. In this paper, by considering the production of calcium hydroxide in cement hydration and its consumption in the pozzolanic reaction, a numerical model is proposed to simulate the hydration of concrete containing silica fume. The heat evolution rate of silica fume concrete is determined from the contribution of cement hydration and the pozzolanic reaction. Furthermore, the temperature distribution and temperature history in hardening blended concrete are evaluated based on the degree of hydration of the cement and the mineral admixtures. The proposed model is verified through experimental data on concrete with different water-to-cement ratios and mineral admixture substitution ratios.

Turbulent Spray Combustion due to Triplet/Split Doublet Injectors (삼중/분리 충돌형 분사특성에 따른 난류 분무연소장 해석)

  • Hwang Yong-Sok;Yoon Woong-Sup
    • 한국전산유체공학회:학술대회논문집
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    • 1998.11a
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    • pp.211-219
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    • 1998
  • Propellants pressurized and fed into the combustion chamber undergoes the mechanical, chemical combustion processes. Along with their distinctive physical characteristics, propellant combustion is typically divided into the processes; injection, atomization, mixing, vaporization and chemical reaction. These processes assumed to happen in a serial manner are strongly coupled, thereby involves formidable physical complexities. In this study a numerical experiment is attempted to simulate the burning sprays due to OFO, FOF triplet / FOOF split doublet injectors. Based on Eulerian-Lagrangian frame, Navier-Stokes equation system for compressible flows is preconditioned with low Reynolds number $k-{\varepsilon}$ turbulent model and time-integrated by LU-SGS, and the sprays are described by DSF model with the characteristics initialized by experimentally determined spray characteristics. Simplified single global reaction model approximates heptane-air reaction. It was observed that FOOF split doublet injector shows better atmization with shortest residence and the FOF triplet injector produces better combustion performance.

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Ground Response Curve for Ground Movement Analysis of Tunnel (지반응답곡선을 이용한 터널의 지반거동 분석)

  • Lee, Song;Ahn, Sung-Hak;Ahn, Tae-Hun;Kong, Sung-Suk
    • Journal of the Korean Society for Railway
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    • v.5 no.4
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    • pp.244-252
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    • 2002
  • We must notice ground movement by excavation for reasonable tunnel designs. The convergence confinement method is an attempt to evaluate tunnel stability conditions by means of a mathematical model and a ground response curve. In this study, the convergence confinement method by numerical model was examined. This method don't need the basic assumptions for a mathematical model of circular tunnel shape, and hydrostatic in situ stress. Also modified ground response curve that is calculated after installing the support, is suggested, which informs us the ground movement mechanism. The ground response curve and the support reaction curve are mutually dependent. Especially the support reaction curve depends upon the ground response curve. The mechanism of tunnel must be analyzed by the interaction between support and ground. Consequently the stability of tunnel must be qualitatively investigated by a ground response curve and quantitatively adjudged by a numerical analysis for the reasonable design of tunnel.

The Application of Preconditioning in Laminar Spray Combustion Analysis (예조건화 압축성 알고리듬을 이용한 층류 분무연소장 해석)

  • Hwang Yong-Sok;Yoon Woong-Sup
    • 한국전산유체공학회:학술대회논문집
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    • 1998.05a
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    • pp.128-137
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    • 1998
  • In this numerical experiment, the preconditioned compressible Navier-Stokes equation is tested to analyze the laminar spray combustion. Sprayed flow field is formulated by Eulerian-Lagrangian system for the gas and liquid phases each. DSF(Deterministic Separated Flow) model was adopted for the sprays with the vortex model to describe transients of individual droplet heating. Simplified single global reaction model approximates methanol-air reaction with and without disk flame holder. The equation system is discretized by finite difference technique and time integrated by LU-SGS. Due to greatly simplified chemical reaction mechanism and the lack of experimental evidences, most of the efforts were devoted to show the applicability and robustness of preconditioned compressible flow calculation algorithm. Computation results in qualitatively reasonable combusting flow field, hence it is believed that further refinement are required to produce quantitatively accurate solutions.

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Evaluation of devolatilization models in CFD for high-pressure entrained flow coal gasifier (고압 석탄 분류층 가스화기 전산유동에서 탈휘발 모델의 영향 평가)

  • Ye, Insoo;Park, Sangbin;Ryu, Changkook;Park, Hoyoung;Kim, Bongkeun
    • 한국연소학회:학술대회논문집
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    • 2012.04a
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    • pp.37-40
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    • 2012
  • In an entrained flow coal gasifier, predicting the reaction behavior of pulverized coal particles requires detailed information on devolatilization, char gasification, gaseous reactions, turbulence and heat transfer. Among the input parameters, the rate of devolatilization and the composition of volatile species are difficult to determine by experiments due to a high pressure (~40 bar) and temperature (${\sim}1500^{\circ}C$). This study investigates the effect of devolatilization models on the reaction and heat transfer characteristics of a 300 MWe Shell coal gasifier. A simplified devolatilization model and advanced model based on Flashchain were evaluated, which had different volatiles composition and devolatilization rates. It was found that the tested models produce similar flow and reaction trends, but the simplified model slightly over-predict the temperature and wall heat flux near the coal inlets.

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Effect of Space Velocity on the DeNOx Performance in Diesel SCR After-Treatment System (디젤 SCR 후처리장치 내 공간속도가 NOx 저감에 미치는 영향)

  • Wang, Tae-Joong;Baek, Seung-Wook;Kang, Dae-Hwan;Kil, Jung-Ki;Yeo, Gwon-Koo
    • 한국연소학회:학술대회논문집
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    • 2006.04a
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    • pp.49-54
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    • 2006
  • The present study conducted a numerical modeling on the diesel SCR (selective catalytic reduction) system using ammonia as a reductant over vanadium-based catalysts $(V_2O_5-WO_3/TiO_2)$. Transient modeling for ammonia adsorption/desorption on the catalyst surface was firstly carried out, and then the SCR reaction was modeled considering for it. In the current catalytic reaction model, we extended the pure chemical kinetic model based on laboratory-scale powdered-phase catalyst experiments to the chemico-physical one applicable to realistic commercial SCR reactors. To simulate multi-dimensional heat and mass transfer phenomena, the SCR reactor was modeled in two dimensional, axisymmetric domain using porous medium approach. Also, since diesel engines operate in transient mode, the present study employed an unsteady model. In addition, throughout simulations using the developed code, effects of space velocity on the DeNOx performance were investigated.

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The Effect of Coal Particle Size on Char-$CO_{2}$ Gasification Reactivity by Gas Analysis (가스분석을 이용한 석탄 입자크기가 촤-$CO_{2}$ 가스화 반응성에 미치는 영향 연구)

  • Kim, Yong-Tack;Seo, Dong-Kyun;Hwang, Jung-Ho
    • Korean Chemical Engineering Research
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    • v.49 no.3
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    • pp.372-380
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    • 2011
  • Char gasification is affected by operating conditions such as reaction temperature, reactants gas partial pressure, total system pressure and particle size in addition to chemical composition and physical structure of char. The aim of the present work was to characterize the effect of coal particle size on $CO_{2}$ gasification of chars prepared from two different types of bituminous coals at different reaction temperatures(1,000-$1,400{^{\circ}C}$). Lab scale experiments were carried out at atmospheric pressure in a fixed reactor where heat was supplied into a sample of char particles. When a flow of $CO_{2}$(40 vol%) was delivered into the reactor, the char reacted with $CO_{2}$ and was transformed into CO. Carbon conversion of the char was measured using a real time gas analyzer having NDIR CO/$CO_{2}$ sensor. The results showed that the gasification reactivity increased as the particle size decreased for a given temperature. The sensitivity of the reactivity to particle size became higher as the temperature increases. The size effects became remarkably prominent at higher temperatures and became a little prominent for lower reactivity coal. The particle size and coal type also affected reaction models. The shrinking core model described better for lower reactivity coal, whereas the volume reaction model described better for higher reactivity coal.

Comparative Modeling of Low Temperature Char-CO2 Gasification Reaction of Drayton Coal by Carbon Dioxide Concentration (이산화탄소 농도에 따른 드레이톤 탄의 저온 차-이산화탄소 가스화반응 모델링 비교)

  • Park, Ji Yun;Lee, Do Kyun;Hwang, Soon Cheol;Kim, Sang Kyum;Lee, Sang Heon;Yoon, Soo Kyung;Yoo, Ji Ho;Lee, Si Hyun;Rhee, Young Woo
    • Clean Technology
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    • v.19 no.3
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    • pp.306-312
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    • 2013
  • We investigated the effects of the concentration of carbon dioxide on the char-$CO_2$ gasification reaction under isothermal conditions of $850^{\circ}C$ using the Drayton coal. Potassium carbonate was used to improve the low-temperature gasification reactivity. The enhancement of carbon dioxide concentration increased the gasification rate of char, while gasification rate reached a saturated value at the concentration of 70%. The best $CO_2$ concentration for gasification is determined to be 70%. We compared the shrinking core model (SCM), volumetric reaction model (VRM) and modified volumetric reaction model (MVRM) of the gas-solid reaction models. The correlation coefficient values, by linear regression, of SCM are higher than that of VRM at low concentration. While the correlation coefficients values of VRM are higher than that of SCM at high concentration. The correlation coefficient values of MVRM are the highest than other models at all concentration.

Similarity Model Analysis and Implementation for Enzyme Reaction Prediction (효소 반응 예측을 위한 유사도 모델 분석 및 구현)

  • Oh, Joo-Seong;Na, Do-Kyun;Park, Chun-Goo;Ceong, Hyi-Thaek
    • The Journal of the Korea institute of electronic communication sciences
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    • v.13 no.3
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    • pp.579-586
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    • 2018
  • With the beginning of the new era of bigdata, information extraction or prediction are an important research area. Here, we present the acquisition of semi-automatically curated large-scale biological database and the prediction of enzyme reaction annotation for analyzing the pharmacological activities of drugs. Because the xenobiotic metabolism of pharmaceutical drugs by cellular enzymes is an important aspect of pharmacology and medicine. In this study, we apply and analyze similarity models to predict bimolecular reactions between human enzymes and their corresponding substrates. Thirteen models select to reflect the characteristics of each cluster in the similarity model. These models compare based on sensitivity and AUC. Among the evaluation models, the Simpson coefficient model showed the best performance in predicting the reactivity between the enzymes. The whole similarity model implement as a web service. The proposed model can respond dynamically to the addition of reaction information, which will contribute to the shortening of new drug development time and cost reduction.

Three-Dimensional Grillage Analysis of Reaction Forces on Supports of Pre-Erection Block (격자구조모델을 이용한 선체 PE블록의 반목 반력 해석 시스템 개발)

  • Ryu, Cheolho;Kim, Sungchan;Kim, Dong Geun
    • Journal of Ocean Engineering and Technology
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    • v.27 no.4
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    • pp.1-8
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    • 2013
  • Many PE (pre-erection) blocks are supported by wooden, concrete, or steel supports when they are stocked in the outdoor areas of a shipyard. Their positions and numbers are planned on the basis of the workers' experience. Recently, many shipyards have been making PE blocks with various shapes and weight distributions because of the variety of ships and building technologies. Therefore, it is now necessary to deal with blocks that they have no experience with. We propose a method to conveniently and quickly evaluate the structural safety of PE block supports, without the need for special knowledge and technology related to structural analysis. This method can reduce the large number of man hours (MH) normally needed for the analysis. The three-dimensional grillage analysis is performed for a simplified grillage model of a PE block. For efficiency, the grillage model of the PE block is automatically built from its three-dimensional CAD model, and its weight is also automatically distributed on the grillage model. The integrated system has been comprehensively implemented to perform the grillage analysis for the reaction forces on block supports. This paper describes how to make a grillage model of a PE block and estimate the weight distribution of the block on this grillage model. These steps are verified by comparing the supports reaction forces to those of the 3D finite element analysis for the PE blocks that are provided by a shipyard.