• 제목/요약/키워드: Detailed Kinetics

검색결과 82건 처리시간 0.084초

Mechanistic ligand-receptor interaction model: operational model of agonism

  • Kim, Hyungsub;Lim, Hyeong-Seok
    • Translational and Clinical Pharmacology
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    • 제26권3호
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    • pp.115-117
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    • 2018
  • This tutorial explains the basic principles of mechanistic ligand-receptor interaction model, which is an operational model of agonism. A growing number of agonist drugs, especially immune oncology drugs, is currently being developed. In this tutorial, time-dependent ordinary differential equation for simple $E_{max}$ operational model of agonism was derived step by step. The differential equation could be applied in a pharmacodynamic modeling software, such as NONMEM, for use in non-steady state experiments, in which experimental data are generated while the interaction between ligand and receptor changes over time. Making the most of the non-steady state experimental data would simplify the experimental processes, and furthermore allow us to identify more detailed kinetics of a potential drug. The operational model of agonism could be useful to predict the optimal dose for agonistic drugs from in vitro and in vivo animal pharmacology experiments at the very early phase of drug development.

화학반응수치해석을 이용한 HCCI기관의 예혼합기의 성층화성이 연소시의 압력 상승률에 미치는 영향 (Numerical Analysis of Effect of Inhomogeneous Pre-mixture on Pressure Rise Rate in HCCI Engine by Using Multizone Chemical Kinetics)

  • 임옥택
    • 대한기계학회논문집B
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    • 제34권5호
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    • pp.449-456
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    • 2010
  • HCCI 엔진은 고효율, 저공해를 실현할 수 있는 차세대 내연기관이다. 그러나 HCCI 엔진이 상용화되기 위해서는 몇 가지 문제점들이 해결되어야 한다. 그 중에서 가장 큰 문제점은 과도한 압력 상승률이 노킹을 발생시키기 때문에 운전영역이 제한되는 것이다. 이번 연구의 목적은 HCCI 엔진에서 압력상승률 저감을 위하여 온도 성층화와 농도 성층화 효과를 조사하는 것이다. 그리고 Multi-zone 모델을 이용한 화학반응 수치해석을 통하여 연소 및 배기가스 특성에 미치는 영향을 알아보았다. 수치해석에서 2 단계 열발생을 가지는 DME와 1단계 열발생을 가지는 메탄을 사용하였다.

평판형 고체산화물 연료전지의 CFD 성능해석에서 공기유량변화의 영향 (Effect of Air Flow Rate on the Performance of Planar Solid Oxide Fuel Cell using CFD)

  • 김단비;한경호;윤도영
    • 전기화학회지
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    • 제18권4호
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    • pp.172-181
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    • 2015
  • 고체산화물 연료전지는 다양한 응용분야에서 대체에너지로서 각광받고 있다. 본 논문은 평판형 anode 전극으로 들어가는 공기유량에 따른 SOFC의 I-V 그래프 특성에 대해 연구하였다. 본 연구를 위해, Butler-Volmer 반응속도 식이 상용 CFD코드인 FLUENT에 적용되었다. CFD로부터 얻어진 결과값은 문헌으로부터 참고한 실험데이터와 0.4 V ~ 1 V 범위에서 I-V 분극곡선이 잘 맞는 것을 보여줌으로써 그 유효성을 확인하였다. 연료전지의 수치적 계산은 각각 다른 유량조건 하에서 3D 구조를 이용하여 수행하였다. 결과는 수소, 산소 그리고 물의 농도 분포의 항목으로 제시하였다. 전산모사와 그 결과들은 Butler-Volmer 방정식을 사용자 정의 함수로 적용한 CFD기법이 공기 유량과 비표면적에 대한 조건을 확인하는데 사용될 수 있고, 작동조건 연구를 위한 지침이 됨으로써 연료전지 시스템의 성능을 향상시킬 수 있음을 보여준다.

Kinetics of IL-23 and IL-12 Secretion in Response to Toxoplasma gondii Antigens from THP-1 Monocytic Cells

  • Quan, Juan-Hua;Zhou, Wei;Cha, Guang-Ho;Choi, In-Wook;Shin, Dae-Whan;Lee, Young-Ha
    • Parasites, Hosts and Diseases
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    • 제51권1호
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    • pp.85-92
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    • 2013
  • IL-23 and IL-12 are structurally similar and critical for the generation of efficient cellular immune responses. Toxoplasma gondii induces a strong cell-mediated immune response. However, little is known about IL-23 secretion profiles in T. gondii-infected immune cells in connection with IL-12. We compared the patterns of IL-23 and IL-12 production by THP-1 human monocytic cells in response to stimulation with live or heat-killed T. gondii tachyzoites, or with equivalent quantities of either T. gondii excretory/secretory proteins (ESP) or soluble tachyzoite antigen (STAg). IL-23 and IL-12 were significantly increased from 6 hr after stimulation with T. gondii antigens, and their secretions were increased with parasite dose-dependent manner. IL-23 concentrations were significantly higher than those of IL-12 at the same multiplicity of infection. IL-23 secretion induced by live parasites was significantly higher than that by heat-killed parasites, ESP, or STAg, whereas IL-12 secretion by live parasite was similar to those of ESP or STAg. However, the lowest levels of both cytokines were at stimulation with heat-killed parasites. These data indicate that IL-23 secretion patterns by stimulation with various kinds of T. gondii antigens at THP-1 monocytic cells are similar to those of IL-12, even though the levels of IL-23 induction were significantly higher than those of IL-12. The detailed kinetics induced by each T. gondii antigen were different from each other.

고상 NMR을 이용한 비정질 알루미나의 상전이 연구: 마그마 바다 구성 용융체의 결정화 과정의 의의 (A Solid-State NMR Study of Coordination Transformation in Amorphous Aluminum Oxide: Implication for Crystallization of Magma Ocean)

  • 류새봄;이성근
    • 한국광물학회지
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    • 제25권4호
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    • pp.283-293
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    • 2012
  • 지구가 마그마 바다 상태에서 현재의 층상화된 내부 구조로 분화되는 진화과정의 체계적인 이해를 위하여 규산염 용융체와 같은 비정질 산화물의 결정화과정 메커니즘 규명이 필요하다. 이를 위하여 결정화 과정에서 수반하는 용융체의 원자구조 변화를 실험적으로 측정하여 결정화 과정을 정량적으로 정립할 수 있다. 본 연구에서는 고상 핵자기 공명 분광분석(NMR)을 이용하여 졸겔법으로 합성한 비정질 알루미나($Al_2O_3$)의 온도-가열 시간 변화에 따른 원자구조 변화로부터, 비정질-결정질 상전이 과정을 원자 단위에서 규명하였다. 비정질 $Al_2O_3$$^{27}Al$ 3QMAS NMR 실험 결과 다량의 배위수 4, 5의 알루미늄($^{[4,5]}Al$)과 소량의 배위수 6인 알루미늄($^{[6]}Al$)이 명확히 구분되어 관찰되었고, 973 K와 1,073 K에서 각각 가열시간을 증가시킬수록 배위수 5인 알루미늄($^{[5]}Al$)이 감소하였다. 본 연구에서는 $^{[5]}Al$의 분율을 결정화의 지표로 이용하여 $^{27}Al$ 3QMAS NMR 결과를 정량 분석하였다. 분석을 통해 점진적인 원자구조의 변화로 관찰되는 비정질 산화물의 상전이 과정이 결정화 혹은 비정질 내 구조적 무질서도의 변화와 같은 복합적인 단계로 구성될 수 있음을 확인하였다. 이러한 연구 결과는 다양한 자연계의 다성분계 규산염 용융체 결정화 과정 및 마그마 바다의 분화와 지구의 화학적 진화에 대한 원자 단위의 이해증진에 도움을 줄 것이다.

Analysis of LBLOCA of APR1400 with 3D RPV model using TRACE

  • Yunseok Lee;Youngjae Lee;Ae Ju Chung;Taewan Kim
    • Nuclear Engineering and Technology
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    • 제55권5호
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    • pp.1651-1664
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    • 2023
  • It is very difficult to capture the multi-dimensional phenomena such as asymmetric flow and temperature distributions with the one-dimensional (1D) model, obviously, due to its inherent limitation. In order to overcome such a limitation of the 1D representation, many state-of-the-art system codes have equipped a three-dimensional (3D) component for multi-dimensional analysis capability. In this study, a standard multi-dimensional analysis model of APR1400 (Advanced Power Reactor 1400) has been developed using TRACE (TRAC/RELAP Advanced Computational Engine). The entire reactor pressure vessel (RPV) of APR1400 has been modeled using a single 3D component. The fuels in the reactor core have been described with detailed and coarse representations, respectively, to figure out the impact of the fuel description. Using both 3D RPV models, a comparative analysis has been performed postulating a double-ended guillotine break at a cold leg. Based on the results of comparative analysis, it is revealed that both models show no significant difference in general plant behavior and the model with coarse fuel model could be used for faster transient analysis without reactor kinetics coupling. The analysis indicates that the asymmetric temperature and flow distributions are captured during the transient, and such nonuniform distributions contribute to asymmetric quenching behaviors during blowdown and reflood phases. Such asymmetries are directly connected to the figure of merits in the LBLOCA analysis. Therefore, it is recommended to employ a multi-dimensional RPV model with a detailed fuel description for a realistic safety analysis with the consideration of the spatial configuration of the reactor core.

Numerical and experimental study for Datong coal gasification in entrained flow coal gasifier

  • Park, Y. C.;Park, T. J.;Kim, J. H.;Lee, J. G.
    • 한국에너지공학회:학술대회논문집
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    • 한국에너지공학회 2001년도 추계 학술발표회 논문집
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    • pp.69-76
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    • 2001
  • The coal gasification process of a slurry feed type, entrained-flow coal gasifier was numerically predicted in this paper. By divding the complicated coal gasification process into several simplified stages suh as slurry evaporation, coal devolitilisation and two-phase reactions coupled with turbulent flow and two-phase heat transfer, a comprehensive numerical model was constructed to simulate the coal gasification process. The k-$\varepsilon$turbulence model was used for the gas phase flow while the Random-trajectory model was applied to describe the behavior of the coal slurry particles. The unreacted-core shrinking model and modified Eddy Break-Up(EBU) model were used to simulate the heterogeneous and homogeneous reactions, respectively. The simulation results obtained the detailed informations about the flow field, temperature inside the gasifier. Meanwhile, the simulation results were compared with the experimental data as function of $O_2$/coal ratio. It illustrated that the calculated carbon conversions agreed with the measured ones and that the measurd quality of the atngas was better than the calculated one when the $O_2$/coal ratio increases. The result was related with the total heat loss through the gasifier and uncertain kinetics for the heterogeneous reactions.

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대향류 확산화염의 고온공기 연소특성에 관한 수치해석 (A Numerical Analysis of the Characteristics with High Temperature Air Combustion in Counterflow Diffusion Flame)

  • 조은성;히데아키 코바야시;정석호
    • 한국연소학회지
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    • 제8권4호
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    • pp.9-14
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    • 2003
  • High temperature air combustion technology has been utilized by using preheated air over 1100 K and excessive exhaust gas recirculation. Numerical analysis was performed to investigate the combustion characteristics with high temperature deficient oxygen air combustion by adopting a counterflow as a model problem accounting for detailed chemical kinetics. Methane($CH_4$) was used as a test fuel and calculated oxidizer conditions were low temperature high oxygen (300K, $X_{O2}=0.21$) and high temperature low oxygen (1300K, $X_{O2}=0.04$) conditions. The latter case showed that the flame temperature is lower than the former case and its profile showed monotonic decrease from oxidizer to fuel side, without having local maximum flame temperature at high stretch rate. Also, heat release rate was one order lower and it has one peak profile because of low oxygen concentration and heat release rate integral is almost same for stretch rate. High temperature low oxygen air combustion shows low NO emission characteristics.

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Nucleation and Growth of b-Axis Oriented $PrBa_2Cu_3O_{7-x}$ Thin Films on $LaSrGaO_4$ (100) Substrates

  • Sung, Gun-Yong;Suh, Jeong-Dae
    • ETRI Journal
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    • 제18권4호
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    • pp.339-346
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    • 1997
  • Good quality a-axis oriented thin films of $YBa_2Cu_3O_{7-x}$ may be grown by the use of a $PrBa_2Cu_3O_{7-x}$ (PBCO) layer as a template. Here we present a detailed study of the nucleation of the PBCO layer, explaining the orientations observed. It is determined that the wavy surface of a $LaSrGaO_4$ (LSGO) (100) substrate consists of the {101} planes by observing cross-sectional transmission electron microscopy images of the interface between the PBCO film and the substrate. The images and selected area diffraction patterns show that a mixed c-and b-axis oriented PBCO layer was initially grown on the substrate, followed by pure b-axis oriented PBCO growth. We explain that the c-axis oriented growth is the result of the growth of the PBCO (019) planes on the LSGO (101) planes. We conclude that the nucleation and growth of the PBCO films at the initial stages depends on the crystallographic plane of the substrate surfaces, however, as the film grows further, the kinetics of the deposition process favors b-axis oriented growth.

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연소파 로켓 점화기의 T형 분기관내 데토네이션파 전파 (Detonation Wave Propagation Through a T-type Branch Tube in Combustion Wave Rocket Igniter)

  • 최정열
    • 한국추진공학회:학술대회논문집
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    • 한국추진공학회 2003년도 제20회 춘계학술대회 논문집
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    • pp.221-224
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    • 2003
  • T-분기관을 전파하는 데토네이션 파에 대한 수치적 연구가 수행되었다. T-분기관은 데토네이션 파를 이용하여 여러 개의 연소기를 점화시키는 연소파 점화기라는 새로운 로켓 점화체계의 핵심 부분이다. Euler 방정식과 Induction parameter 방정식이 지배방정식으로 이용되었으며 반응 항은 상세 반응 기구로 얻어진 화학 반응 데이터베이스로부터 모델 되었다. 연계된 방정식의 풀이에는 2차 정확도의 내재적 시간적분과 3차 정확도의 TVD 알고리즘이 이용되었다. 2백만 개를 초과하는 격자를 이용하여 붕괴와 재 점화를 포함하는 데토네이션파의 거동을 포착할 수 있었으며, 연소파 점화기 화염관의 설계 요소를 얻었다.

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