• 제목/요약/키워드: Kinetic Parameters

검색결과 969건 처리시간 0.025초

Estimating Diffusion-Controlled Reaction Parameters in Photoinitiated Polymerization of Dimethacrylate Macromonomers

  • Choe, Youngson
    • Macromolecular Research
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    • 제11권5호
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    • pp.311-316
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    • 2003
  • The kinetics of photoinitiated polymerization of dimethacrylate macromonomers have been studied to determine the diffusion-controlled reaction parameters using attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). A predicted kinetic rate expression with a diffusion control factor was employed to estimate an effective rate constant and to define the reaction-controlled and diffusion-controlled regimes in the photopolymerization. An effective rate constant, k$_{e}$, can be obtained from the predicted kinetic rate expression. At the earlier stages of polymerization, the average values of kinetic rate constants do not vary during the reaction time. As the reaction conversion, $\alpha$, reaches the critical conversion, $\alpha$$_{c}$, in the predicted kinetic expression, the reaction becomes to be controlled by diffusion due to the restricted mobility of dimethacrylate macromonomers. A drop in value of effective rate constant causes a drastic decrease of reaction rate at the later stages of polymerization. By determining the effective rate constants, the reaction-controlled and diffusion-controlled regimes were properly defined even in the photopolymerization reaction system.m.m.

Combined Age and Segregated Kinetic Model for Industrial-scale Penicillin Fed-batch Cultivation

  • Wang Zhifeng;Lauwerijssen Maarten J. C.;Yuan Jingqi
    • Biotechnology and Bioprocess Engineering:BBE
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    • 제10권2호
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    • pp.142-148
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    • 2005
  • This paper proposes a cell age model for Penicillium chrysogenum fed-batch cultivation to supply a qualitative insight into morphology-associated dynamics. The average ages of the segregated cell populations, such as growing cells, non-growing cells and intact productive cells, were estimated by this model. A combined model was obtained by incorporating the aver-age ages of the cell sub-populations into a known but modified segregated kinetic model from literature. For simulations, no additional effort was needed for parameter identification since the cell age model has no internal parameters. Validation of the combined model was per-formed by 20 charges of industrial-scale penicillin cultivation. Meanwhile, only two charge-dependent parameters were required in the combined model among approximately 20 parameters in total. The model is thus easily transformed into an adaptive model for a further application in on-line state variables prediction and optimal scheduling.

TGA를 이용한 폴리염화비닐의 연소반응에서의 열적 특성 연구 (Thermal Characteristics of Polyvinylchloride in Combustion Reaction Using TGA)

  • 서수은;강윤진;민영초;배동철;강경식
    • 대한안전경영과학회지
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    • 제11권3호
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    • pp.217-226
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    • 2009
  • The combustion reaction of polyvinylchloride(PVC) was investigated using a thermogravimetric technique under an air atmosphere condition at several heating rates from 10 to $50^{\circ}C$/min. To obtain information on the kinetic parameters, the dynamic thermogravimetric analysis curve and its derivative were analyzed by a variety of analytical methods such as Kissinger, Friedman, Chatterjee-Conrad, Ozawa and Coats-Redfern methods. The combustion reaction of PVC proceeded in two steps; the first step was caused by the dehydrochlorination process in PVC, and the second step by the combustion of polyene. The comparative works for the kinetic results obtained from various methods should be performed to determine the kinetic parameters, because there are tremendous differences in the calculated kinetic parameters depending upon the mathematical method taken in the analysis.

Relationship between solar flares and halo CMEs using stereoscopic observations

  • Jang, Soojeong;Moon, Yong-Jae;Kim, Sujin;Kim, Rok-Soon
    • 천문학회보
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    • 제41권1호
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    • pp.82-82
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    • 2016
  • To find the relationship between solar flares and halo CMEs using stereoscopic observations, we investigate 182 flare-associated halo CMEs among 306 front-side halo CMEs from 2009 to 2013. We have determined the 3D parameters (radial speed and angular width) of these CMEs by applying StereoCAT to multi-spacecraft data (SOHO and STEREO). For this work, we use flare parameters (peak flux and fluence) taken from GOES X-ray flare list and 2D CME parameters (projected speed, apparent angular width, and kinetic energy) taken from CDAW SOHO LASCO CME catalog. Major results from this study are as follows. First, the relationship between flare peak flux (or fluence) and CME speed is almost same for both 2D and 3D cases. Second, there is a possible correlation between flare fluence and CME width, which is more evident in 3D case than 2D one. Third, the flare fluence is well correlated with CME kinetic energy (CC=0.63). Fourth, there is an upper limit of CME kinetic energy for a given flare fluence (or peak flux). For example, a possible CME kinetic energy ranges from 1030.6 to 1033 erg for a given X1.0 class flare. Our results will be discussed in view of the physical mechanism of solar eruptions.

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Study of changes in the kinetic parameters of corrosion on the macrocell current induced by the repair of reinforced concrete structures - Results of numerical simulation

  • Mostafa Haghtalab;Vahed Ghiasi;Aliakbar Shirzadi Javid
    • Computers and Concrete
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    • 제32권3호
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    • pp.287-302
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    • 2023
  • Corrosion of reinforcing bars in reinforced concrete structures due to chloride attack in environments containing chloride ions is one of the most important factors in the destruction of concrete structures. According to the abundant reports that the corrosion rate around the repair area has increased due to the macro-cell current known as the incipient anode, it is necessary to understand the effective parameters. The main objective of this paper is to investigate the effect of the kinetic parameters of corrosion including the cathodic Tafel slope, exchange current density, and equilibrium potential in repair materials on the total corrosion rate and maximum corrosion rate in the patch repair system. With the numerical simulation of the patch repair system and concerning the effect of parameters such as electromotive force (substrate concrete activity level), length of repair area, and resistivity of substrate and repair concrete, and with constant other parameters, the sensitivity of the macro-cell current caused by changes in the kinetic parameters of corrosion of the repairing materials has been investigated. The results show that the maximum effect on the macro-cell current values occurred with the change of cathodic Tafel slope, and the effect change of exchange current density and the equilibrium potential is almost the same. In the low repair extant and low resistivity of the repairing materials, with the increase in the electromotive force (degree of substrate concrete activity) of the patch repair system, the sensitivity of the total corrosion current reduces with the reduction in the cathode Tafel slope. The overall corrosion current will be very sensitive to changes in the kinetic parameters of corrosion. The change in the cathodic Tafel slope from 0.16 to 0.12 V/dec and in 300 mV the electromotive force will translate into an increase of 200% of the total corrosion current. While the percentage of this change in currency density and equilibrium potential is 53 and 43 percent, respectively. Moreover, by increasing the electro-motive force, the sensitivity of the total corrosion current decreases or becomes constant. The maximum corrosion does not change significantly based on the modification of the corrosion kinetic parameters and the modification will not affect the maximum corrosion in the repair system. Given that the macro-cell current in addition to the repair geometry is influenced by the sections of reactions of cathodic, anodic, and ohmic drop in repair and base concrete materials, in different parameters depending on the dominance of each section, the sensitivity of the total current and maximum corrosion in each scenario will be different.

Adsorption of Pb(II) Ions from Aqueous Solution Using Activated Carbon Prepared from Areca Catechu Shell: Kinetic, Isotherm and Thermodynamic Studies

  • Muslim, A.;Aprilia, S.;Suha, T.A.;Fitri, Z.
    • 대한화학회지
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    • 제61권3호
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    • pp.89-96
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    • 2017
  • This study proposed adsorption of Pb(II) ions from aqueous solution using activated carbon prepared from areca catechu shell (ACS AC) using Timphan Method. The effects of independent variables on adsorption kinetic and isotherm have been investigated by conducting experiments in batch mode at neutral pH. The structural characterization of adsorbent was done by FT-IR and SEM analysis. The Pb(II) adsorption was correlated very well with the pseudo second-order kinetic (PSOKM) and Langmuir isotherm models (LIM). Increasing NaOH mass for activation and adsorption temperature increased weakly all the parameters of adsorption kinetic and isotherm. The Pb(II) ions adsorption capacity of the ACS AC at 27 and $45^{\circ}C$ was 50.51 and 55.25 mg/g, respectively. Thermodynamic parameters were determined, and the results confirmed the Pb(II) ions adsorption should be endothermic and spontaneous process, and both physical and chemical adsorption should be taken place.

Influencing Parameters on Supercritical Water Reactor Design for Phenol Oxidation

  • Akbari, Maryam;Nazaripour, Morteza;Bazargan, Alireza;Bazargan, Majid
    • Korean Chemical Engineering Research
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    • 제59권1호
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    • pp.85-93
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    • 2021
  • For accurate and reliable process design for phenol oxidation in a plug flow reactor with supercritical water, modeling can be very insightful. Here, the velocity and density distribution along the reactor have been predicted by a numerical model and variations of temperature and phenol mass fraction are calculated under various flow conditions. The numerical model shows that as we proceed along the length of the reactor the temperature falls from above 430 ℃ to approximately 380 ℃. This is because the generated heat from the exothermic reaction is less that the amount lost through the walls of the reactor. Also, along the length, the linear velocity falls to less than one-third of the initial value while the density more than doubles. This is due to the fall in temperature which results in higher density which in turn demands a lower velocity to satisfy the continuity equation. Having a higher oxygen concentration at the reactor inlet leads to much faster phenol destruction; this leads to lower capital costs (shorter reactor will be required); however, the operational expenditures will increase for supplying the needed oxygen. The phenol destruction depends heavily on the kinetic parameters and can be as high as 99.9%. Using different kinetic parameters is shown to significantly influence the predicted distributions inside the reactor and final phenol conversion. These results demonstrate the importance of selecting kinetic parameters carefully particularly when these predictions are used for reactor design.

EVALUATION OF KINETIC PARAMETERS IN ENZYMIC NON-LINEAR PROGRESS REACTIONS

  • Lee Hyun-Jae;Kim Soo Ja
    • 대한화학회지
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    • 제15권1호
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    • pp.11-14
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    • 1971
  • A modified form of the integrated Michaelis-Menten equation would provide a useful means of evaluating enzyme kinetic parameters in nonlinear progress reaction with time. A slight modification of the Lineweaver-Burk form (and other variants) using for the velocity, the change in substrate concentration divided by time ($\={v}$), and for the velocity, the change in substrate for the time interval ($\={S}$), allows this linear reciprocal form to be used with negligible error even when as much as half of the substrate is utilized during the time interval.

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COMBUSTION KINETICS OF POLYETHYLENE TEREPHTHALATE

  • Oh, Sea-Cheon;Lee, Dong-Gyu;Kwak, Hyun;Bae, Seong-Youl
    • Environmental Engineering Research
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    • 제11권5호
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    • pp.250-256
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    • 2006
  • The combustion kinetics of poly(ethylene terephthalate) (PET) was studied by the dynamic model which accounts for the thermal decomposition of polymer at any time. The kinetic analysis was performed by a conventional nonisothermal thermogravimetric (TG) technique at several heating rates between 10 and 40 K/min in air atmosphere. The thermal decomposition of PET in air atmosphere was found to be a complex process composed of at least two stages for which kinetic values can be calculated. The combustion kinetic analysis of PET gave apparent activation energy for the first stage of $257.3{\sim}269.9\;kJ/mol$, with a value of $140.5{\sim}213.8\;kJ/mol$ for the second stage. To verify the effectiveness of the kinetic analysis method used in this work, the kinetic analysis results were compared with those of various analytical methods. The kinetic parameters were also compared with values of the pyrolysis of PET in nitrogen atmosphere.

염료감응 태양전지용 루테늄 금속착체 염료의 이산화티타늄 전극에 대한 동적 흡착 연구 (Adsorption Kinetic Study of Ruthenium Complex Dyes onto TiO2 Anodes for Dye-sensitized Solar Cells (DSSCs))

  • 안병관
    • 한국전기전자재료학회논문지
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    • 제24권11호
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    • pp.929-934
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    • 2011
  • The adsorption kinetic study of ruthenium complex, N3, onto nanoporous titanium dioxide ($TiO_2$) photoanodes has been carried out by measuring dye uptake in-situ. Three simplified kinetic models including a pseudo first-order equation, pseudo second-order equation and intraparticle diffusion equation were chosen to follow the adsorption process. Kinetic parameters, rate constant, equilibrium adsorption capacities and related coefficient coefficients for each kinetic model were calculated and discussed. It was shown that the adsorption kinetics of N3 dye molecules onto porous $TiO_2$ obeys pseudo second-order kinetics with chemisorption being the rate determining step. Additionally the heterogeneous surface and the pore size distribution of porous $TiO_2$ adsorbents were also discussed.