• Title/Summary/Keyword: Kinetic Parameters

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Application of Bayesian Calibration for Optimizing Biophysicochemical Reaction Kinetics Models in Water Environments and Treatment Systems: Case Studies in the Microbial Growth-decay and Flocculation Processes (베이지안 보정 기법을 활용한 생물-물리-화학적 반응 동역학 모델 최적화: 미생물 성장-사멸과 응집 동역학에 대한 사례 연구)

  • Byung Joon Lee
    • Journal of Korean Society on Water Environment
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    • v.40 no.4
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    • pp.179-194
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    • 2024
  • Biophysicochemical processes in water environments and treatment systems have been great concerns of engineers and scientists for controlling the fate and transport of contaminants. These processes are practically formulated as mathematical models written in coupled differential equations. However, because these process-based mathematical models consist of a large number of model parameters, they are complicated in analytical or numerical computation. Users need to perform substantial trials and errors to achieve the best-fit simulation to measurements, relying on arbitrary selection of fitting parameters. Therefore, this study adopted a Bayesian calibration method to estimate best-fit model parameters in a systematic way and evaluated the applicability of the calibration method to biophysicochemical processes of water environments and treatment systems. The Bayesian calibration method was applied to the microbial growth-decay kinetics and flocculation kinetics, of which experimental data were obtained with batch kinetic experiments. The Bayesian calibration method was proven to be a reasonable, effective way for best-fit parameter estimation, demonstrating not only high-quality fitness, but also sensitivity of each parameter and correlation between different parameters. This state-of-the-art method will eventually help scientists and engineers to use complex process-based mathematical models consisting of various biophysicochemical processes.

Structure-Reactivity Relationships for the Reaction of Aryl Benzoates with Amines (Aryl Benzoates와 Amine류의 반응에 관한 구조-반응성 관계)

  • Cheong, Duk-Young;Kweon, Jeong-Min;Yoh, Soo-Dong;Park, Byung-Soo
    • Journal of the Korean Chemical Society
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    • v.39 no.7
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    • pp.572-577
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    • 1995
  • The reaction rates of aryl substituted(Z)-benzoates with amines were determined by a spectro-photometric method in acetonitrile at various temperatures. Hammett $\rho$, Bronsted ${\beta}$ values, and activation parameters were evaluated from the kinetic data. Linear free energy relationships, activation parameters, and the interpretation of M-O-F-J diagram suggested that these reactions were probably enforced an $S_AN$ mechanism.

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Solvent Effect on Preservation and Inversion of the Chirality in the Processes of Nucleophilic Substitution Reaction of Organic Compound bearing Optical Activity Resolution (광학활성 분리능을 갖는 유기화합물의 친핵성치환반응에서 키랄성의 유지 및 반전에 미치는 용매효과)

  • Lee, Yong-Hee;Lee, Young-Sei
    • Journal of the Korean Society of Industry Convergence
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    • v.7 no.3
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    • pp.299-303
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    • 2004
  • A systematic investigation for the reactivity and solvent effect was studied on the reaction of optical resolving agents with the optically active assistant compounds. The reaction rate constants of the nucleophillic substitution reactions were determined by means of conductometric method The linear solvent energy relationship based on the solvent parameters and the thermodynamic parameters was discussed on the reactions of various physiological active compounds and optical resolving agents The reaction mechanism was discussed from the kinetic results compared with the optical purity.

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Analysis of steady-states and dynamic characteristics of a continuous MMA/MA copolymerization reactor (연속식 MMA/MA 공중합 반응기의 정상상태 및 동특성 해석)

  • 박명준;안성모;이현구
    • 제어로봇시스템학회:학술대회논문집
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    • 1997.10a
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    • pp.309-312
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    • 1997
  • The dynamic characteristics of a continuous MMA/MA free-radical solution copolymerization reactor were studied. A mathematical model was developed and kinetic parameters which had been estimated in the previous work were used. With this model, bifurcation diagrams were constructed with various parameters as the bifurcation parameter to predict the region of stable operating conditions and to enhance the controller performance. It was shown that the steady-state multiplicity existed over wide ranges of residence time and jacket inlet temperature. Periodic solution branches were found to emanated from Hopf bifurcation points. Under certain conditions isola was also observed, which would result in poor performance of feedback controllers.

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Cyclic Voltammetric Investigation of Interactions between Bisnitroaromatic Compounds and ds.DNA

  • Janjua, Naveed Kausar;Akhter, Zareen;Jabeen, Fariya;Iftikhar, Bushra
    • Journal of the Korean Chemical Society
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    • v.58 no.2
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    • pp.153-159
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    • 2014
  • Herein, the cyclic voltammetric (CV) investigations of structurally similar bisnitrocompounds (N3, N4, N5, N6, having different-$CH_2$-spacer length) is presented. CV study offered interesting interactional possibilities of bisnitrocompounds with chicken blood ds.DNA at physiological pH 4.7 and human body temperature, 310 K. The results indicated strong interaction by these symmetric molecules with ds.DNA and strength of binding is found to depend on length of $CH_2$ spacer group in their molecular structure. Thermodynamics derived from electrochemical binding parameters also favored the irreversible interactions. Moreover, threading intercalation mode of binding is suggested based on thermodynamic and kinetic binding parameters extracted from CV studies.

Effect of Stroke Changes on the In-Cylinder Flow Field in a Four-Valve SI Engines (Stroke변화가 Four-Valve SI 엔진 실린더내 유동장에 미치는 영향)

  • 유성출
    • Transactions of the Korean Society of Automotive Engineers
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    • v.9 no.3
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    • pp.1-8
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    • 2001
  • The flow field inside a cylinder of four-valve Sl engine was investigated quantitatively using a three-dimensional Laser Doppler Velocimetry system, to determine how stroke changes affect the flow field. The purpose of this work was to develop quantitative methods which correlate in-cylinder flows to engine performance. For this study, the sane intake manifold, engine head, cylinder, and the piston were used to examine the flow characteristics in different strokes. Quantification of the flow field was done by calculating three major parameters which are believed to adequately characterize in cylinder motion. These quantities were TKE, tumble and swirl ratios. The LDV results reveal that flow patterns are similar, the flow velocities scale with piston speed but another parameters such as TKE, and tumble and swirl numbers are not the same for different stroke systems.

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Dynamic characteristics of a CSTR with MMA polymerization

  • Ahn, Jong-Pil;Rhee, Hyun-Ku
    • 제어로봇시스템학회:학술대회논문집
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    • 1992.10b
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    • pp.100-105
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    • 1992
  • A mathematical model is developed for a CSTR in which free radical solution polymerization of methyl methacrylate(MMA) takes place. It turns out that five ordinary differential equations are to be treated simultaneously in order to predict the reactor performance. Although the reaction proceeds under the conditions of relatively low temperature and pressure, the system shows very complex bifurcation features due to the diffusion limitation (gel effect) and the temperature dependence of the kinetic parameters and physical properties. The effects of various system parameters on the reactor performance as well as on the polymer properties are investigated by using the bifurcation analysis. The application of the singularity theory enables us to divide the parameter space into several different regions, in each of which the system takes a unique steady state structure. Under certain circumstances, complex dynamic features such as HB points and limit cycles are observed and these should be taken into consideration in the reactor design.

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Effects of Femara and Tamoxifen on Proliferation of FM3A Cells in Culture

  • Topcul, Mehmet;Topcul, Funda;Cetin, Idil
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.5
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    • pp.2819-2822
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    • 2013
  • In this study, antiproliferative effects of the selective estrogen receptor modulator Tamoxifen and the aromatase inhibitor letrozole (Femara) were evaluated and compared using the FM3A cell line, originating from a C3H mouse mammary carcinoma and positive in terms of estrogen receptor (ER) expression. Cell kinetic parameters including labelling index, mitotic index and labelling index were assessed after exposure of the. FM3A cell line to $0.001{\mu}g/ml$ of Tamoxifen and $0.25{\mu}g/ml$ of Femara for 4, 8, 16 and 32 h for all parameters. The results showed that cell growth was inhibited by both agents. There was a significant decrease in labelling index and mitotic index and significant increase in apoptotic index for all experimental groups. The differences between control and all experimental groups were statistically significant (p<0.001) for all applications.

Opening Spring Modeling of Current Circuit Breaker Mechanism with respect to Opening Speed using Energy Method (전류 차단기 메커니즘에서 에너지방법을 이용한 차단 속도에 따른 스프링 모델링)

  • Kwon, Byung-Hee
    • Proceedings of the KSME Conference
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    • 2000.11a
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    • pp.688-692
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    • 2000
  • This study proposed design parameters of opening spring of circuit breaker that cut off the over-current in order to protect the electric device about opening speed using the energy method. We simulated the opening kinetic energy, the potential energy of opening spring and the design parameters of opening spring with respect to opening speed of VCB (Vacuum Circuit Breaker)'s moving contactor which has 24kV 25kA break capacity. From the result of simulation the initial tensional force and the final tensional force of the opening spring chose 107kgf and 282kgf respectively. Through the dynamic analysis using ADAMS, We verified that the opening speed of moving contactor satisfied break capacity of VCB and analyzed opening dynamic characteristics of VCB such as the opening displacement, the opening velocity and the opening acceleration of moving contactor in time domain.

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Characterization of tribologic DLC thin films fabricated by pulsed laser deposition (펄스 레이저 증착법에 의한 DLC 박막의 내마모성 특성변화)

  • Shim, Kyung-Suk;Lee, Sang-Yeol
    • Proceedings of the KIEE Conference
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    • 1999.11d
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    • pp.851-853
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    • 1999
  • DLC thin films have been fabricated by pulsed laser deposition with various deposition parameters. The characterization of fabricated thin films was performed depending on the deposition parameters. As the kinetic energies provided by deposition temperature and the laser energy density were increased, the film showed graphite properties. Structural properties of the films were investigated by Raman spectroscopy. The growth energy should be optimized to fabricate high quality DLC thin films. DLC films showed high hardness and their friction coefficient was measured to be about 0.2 regardless of the load of the ball pin.

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