• Title/Summary/Keyword: Kinetic modeling

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Packed Bed Methane Chemical-Looping Reforming System Modeling for the Application to the Hydrogen Production (수소 생성을 위한 고정상 메탄 매체 순환 개질 시스템 모델링)

  • HA, JONGJU;SONG, SOONHO
    • Transactions of the Korean hydrogen and new energy society
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    • v.28 no.5
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    • pp.453-458
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    • 2017
  • A study on the modeling of the methane Chemical Looping Reforming system was carried out. It is aimed to predict the temperature and concentration behavior of the product through modeling of oxygen carrier fixed bed reactors composed of multiple stacks. In order to design the reaction system, first of all, the flow rate of the hydrogen to be produced was calculated. The flow rate ratio of the oxidation/reduction reactor was calculated considering the heat of reaction between adjacent reactors. Finally, in this paper, kinetic model including empirical coefficients was suggested.

Mathematical Modeling with Cell Morphology and Its Application to Fed-batch Culture in Cephalosporium Fermentation (Cephalosporium 발효시 균체의 형태학적 측면을 고려한 수학적 모델링 및 유가식 배양에의 응용)

  • 김의용;유영제
    • Microbiology and Biotechnology Letters
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    • v.19 no.5
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    • pp.521-535
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    • 1991
  • A kinetic model incorporating cell morphology in cephalosporin C biosynthesis by Cephalosporium amemoniurn was developed. The double-substrate Double-substrate kinetic model was used to describe cell growth. Methionine controlled the rate of growth while glucose ultimately controlled the extent of growth. The changes in specific product formation rate were associated with morphologenesis, especially cell differentiation. To increase the productivity of cephalosporin C, the proposed model equations were applied to a fed-batch culture. The algorithm to optimize the fed-batch culture consists of two steps; cell growth was maximized in the growth phase and then cephalosporin C production was maximized in the production phase. The increase of about 33% in the cephalosporin C titre was obtained by the optimal feeding scheduling in comparison with that of batch culture.

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Thermodynamic Properties of Ubiquitin Folding Intermediate (Ubiquitin 폴딩 intermediate의 열역학적 특성)

  • Park, Soon-Ho
    • Applied Biological Chemistry
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    • v.47 no.1
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    • pp.33-40
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    • 2004
  • Thermodynamic properties of ubiquitin transient folding intermediate were studied by measuring folding kinetics in varying temperatures and denaturant concentrations. Through quantitative kinetic modeling, the equilibrium constant, hence folding free energy, between unfolded state and intermediate state in several different temperatures were calculated. Using these values, the thermodynamic parameters were estimated. The heat capacity change $({\Delta}C_p)$ upon formation of folding intermediate from unfolded state were estimated to be around 80% of the overall folding reaction, indicating that ubiquitin folding intermediate is highly compact. At room temperature, the changes of enthalpy and entropy upon formation of the intermediate state were observed to be positive. The positive enthalpy change suggests that the breaking up of the highly ordered solvent structure surrounding hydrophobic side-chain upon formation of intermediate state. This positive enthalpy was compensated for by the positive entropy change of whole system so that formation of transient intermediate has negative free energy.

Mass transfer kinetics using two-site interface model for removal of Cr(VI) from aqueous solution with cassava peel and rubber tree bark as adsorbents

  • Vasudevan, M.;Ajithkumar, P.S.;Singh, R.P.;Natarajan, N.
    • Environmental Engineering Research
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    • v.21 no.2
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    • pp.152-163
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    • 2016
  • Present study investigates the potential of cassava peel and rubber tree bark for the removal of Cr (VI) from aqueous solution. Removal efficiency of more than 99% was obtained during the kinetic adsorption experiments with dosage of 3.5 g/L for cassava peel and 8 g/L for rubber tree bark. By comparing popular isotherm models and kinetic models for evaluating the kinetics of mass transfer, it was observed that Redlich-Peterson model and Langmuir model fitted well ($R^2$ > 0.99) resulting in maximum adsorption capacity as 79.37 mg/g and 43.86 mg/g for cassava peel and rubber tree bark respectively. Validation of pseudo-second order model and Elovich model indicated the possibility of chemisorption being the rate limiting step. The multi-linearity in the diffusion model was further addressed using multi-sites models (two-site series interface (TSSI) and two-site parallel interface (TSPI) models). Considering the influence of interface properties on the kinetic nature of sorption, TSSI model resulted in low mass transfer rate (5% for cassava peel and 10% for rubber tree bark) compared to TSPI model. The study highlights the employability of two-site sorption model for simultaneous representation of different stages of kinetic sorption for finding the rate-limiting process, compared to the separate equilibrium and kinetic modeling attempts.

Kinetics of Horseradish Peroxidase-Catalyzed Nitration of Phenol in a Biphasic System

  • Kong, Mingming;Zhang, Yang;Li, Qida;Dong, Runan;Gao, Haijun
    • Journal of Microbiology and Biotechnology
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    • v.27 no.2
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    • pp.297-305
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    • 2017
  • The use of peroxidase in the nitration of phenols is gaining interest as compared with traditional chemical reactions. We investigated the kinetic characteristics of phenol nitration catalyzed by horseradish peroxidase (HRP) in an aqueous-organic biphasic system using n-butanol as the organic solvent and ${NO_2}^-$ and $H_2O_2$ as substrates. The reaction rate was mainly controlled by the reaction kinetics in the aqueous phase when appropriate agitation was used to enhance mass transfer in the biphasic system. The initial velocity of the reaction increased with increasing HRP concentration. Additionally, an increase in the substrate concentrations of phenol (0-2 mM in organic phase) or $H_2O_2$ (0-0.1 mM in aqueous phase) enhanced the nitration efficiency catalyzed by HRP. In contrast, high concentrations of organic solvent decreased the kinetic parameter $V_{max}/K_m$. No inhibition of enzyme activity was observed when the concentrations of phenol and $H_2O_2$ were at or below 10 mM and 0.1 mM, respectively. On the basis of the peroxidase catalytic mechanism, a double-substrate ping-pong kinetic model was established. The kinetic parameters were ${K_m}^{H_2O_2}=1.09mM$, ${K_m}^{PhOH}=9.45mM$, and $V_{max}=0.196mM/min$. The proposed model was well fit to the data obtained from additional independent experiments under the suggested optimal synthesis conditions. The kinetic model developed in this paper lays a foundation for further comprehensive study of enzymatic nitration kinetics.

Evaluation of refused tea waste activated carbon for color removal: Equilibrium and kinetic studies

  • Wijetunga, Somasiri;Gunasekara, Chathurika DFA
    • Advances in environmental research
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    • v.6 no.1
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    • pp.1-14
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    • 2017
  • New technologies or improvement of the existing technologies are required to enhance the efficiency of removal of pollutants from wastewater. In this study we attempted to produce and test the activated carbon produced from the refused tea waste for the removal of dyes from wastewater. The objectives of this investigation were to produce activated carbon from refused tea waste by chemical activation, evaluate its performance for the removal of color produced from Acid Yellow 36, and the modeling of its dye removal with the kinetic study. The activation was performed in two steps namely carbonization at $375{\pm}25^{\circ}C$ and chemical activation with HCl at $800^{\circ}C$ under the absence of Oxygen. Adsorption isotherms and kinetic studies were performed with a textile dye, Acid Yellow 36, at different concentrations (20-80 mg/L). The maximum dye removal (~90%) observed at 80 mg/L dye concentration and it reduced at low dye concentrations. Maximum adsorption (71.97 mg/g) was recorded at 96 h at $29{\pm}1^{\circ}C$. Low pH increased the dye adsorption (pH=2; 78.27 mg/g) while adsorption reduced at high pH levels indicating that the competition occurs in between OH- ions and AY36 molecules for the adsorption sites in RTAC. The Langmuir isotherm model clearly explained the dye adsorption, favorably, by RTAC. Moreover, kinetic studied performed showed that the pseudo second order kinetic model clearly describes the dye adsorption. Based on the results obtained in this study, it can be concluded that RTAC can be used for the removal of textile dyes.

Evaluation of Sewer Capacity using Kinetic Hydraulic Model (동력학적 수리해석모델 해석을 통한 하수관거능력 평가)

  • Yang, Hae Jin;Jun, Hang Bae;Son, Dae Ik;Lee, Joon
    • Journal of Korean Society of Water and Wastewater
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    • v.23 no.5
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    • pp.565-572
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    • 2009
  • Hydraulic modeling is widely used to simulate wastewater flow. The simulated models are used to prevent flood and many other problems associated with wastewater flow in planning or rehabilitating sewer systems. In this study, MAKESW (An engineer, South Korea), MOUSE (DHI, Denmark), and SWMM (XPSoftware, USA) are used to for hydraulic modeling of wastewater in C-city, South Korea and E-city, Iraq. These modeling tools produced different results. SWMM comparably overpredicted runoff and peak flow. In using SWMM, use of accurate data with a high confidential level, detail examination over the target basin surface, and the careful selection of a runoff model, which describes Korea's unique hydraulic characteristics are recommended. Modification of existing models through the optimization of variables cannot be achieved at this moment. Setting up an integrated modeling environment is considered to be essential to utilize modeling and further apply the results for various projects. Standardization of GIS database, the criteria for and the scope of model application, and database management systems need to be prepared to expand modeling application.

Pillared clays from natural resources as catalysts for catalytic wet peroxide oxidation: Characterization and kinetic insights

  • Kalmakhanova, Marzhan Seitovna;Diaz de Tuesta, Jose Luis;Kabykenovna, Bakytgul;Gomes, Helder Teixeira
    • Environmental Engineering Research
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    • v.25 no.2
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    • pp.186-196
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    • 2020
  • Pillared clays with Zr and Fe/Cu/Zr polycations have been prepared from natural clays found in large deposits of Kazakhstan and assessed as catalysts for the catalytic wet peroxide oxidation (CWPO), using 4-nitrophenol (4-NP) as model compound. The performance of the catalysts was followed by measuring the concentration of 4-NP, H2O2 and the total organic carbon (TOC), considering C4-NP = 5 g L-1, $C_{H_2O_2}$ = 17.8 g L-1, Ccat = 2.5 g L-1, initial pH = 3.0 and T = 50℃. At those selected conditions, the pillared clays showed higher activity than natural clays in the CWPO of 4-NP. The conversion of the model pollutant was complete when Fe/Cu/Zr-PILCs were used, with the TOC removal reaching 78.4% after 24 h with the best Fe/Cu/Zr-PILC. The H2O2, 4-NP and TOC time-evolution was well described by a kinetic model based on TOC lumps in three blocks, considering the initial TOC (corresponding to 4-NP), the production of oxidizable intermediates and the formation of refractory products.

The study on kinetic value for simulation in fluidized catalytic gasification (유동층에서의 촉매 석탄가스화 공정 모델 모사를 위한 kinetics에 대한 연구)

  • Jang, Dong-Ha;Jeon, Young-Shin;Kim, Hyung-Taek
    • 한국신재생에너지학회:학술대회논문집
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    • 2011.11a
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    • pp.74.1-74.1
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    • 2011
  • As a demand for energy, many studies are increasing about energy resource. One of these resources is coal which reserves of underground. A lot of research to use coal is going on as method of IGCC (Integrated Gasification Combined Cycle). In addition, SNG(Substitute Natural Gas) and IGFC (Integrated Gasification Fuel Cell) are also being developed for fuel & electricity. This technology which uses synthesis gas after gasification is to produce electricity from the Fuel Cell. At this point, important thing is the components of synthesis gas. The main objective is to increase the proportion of methane and hydrogen in synthesis gas. The catalytic gasification is suitable to enhance the composition of methane and hydrogen. In this study, Exxon Predevelopment catalyst gasification study was served as a good reference and then catalytic gasification simulation process is conducting using Aspen Plus in this research. For this modelling, kinetic value should be calculated from Exxon's report which is used for modeling catalytic gasification. Catalytic gasification model was performed by following above method and was analyzed by thermodynamic method through simulation results.

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Microwave Drying of Sawdust for Pellet Production: Kinetic Study under Batch Mode

  • Bhattarai, Sujala;Oh, Jae-Heun;Choi, Yun Sung;Oh, Kwang Cheol;Euh, Seung Hee;Kim, Dae Hyun
    • Journal of Biosystems Engineering
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    • v.37 no.6
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    • pp.385-397
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    • 2012
  • Purpose: Drying characteristics of sawdust was studied under batch mode using lab scale microwave dryer. The objective of this study was to investigate the effect of material load and microwave output power on drying characteristics of sawdust. Methods: Material load and microwave output power were varied from 23 to 186 g and 530 to 370 W respectively. Different kinetic models were tested to fit the drying rates of sawdust. Similarly, the activation energy was calculated by employing the Arrhenius equation. Results: The drying efficiency increased considerably, whereas the specific energy consumption significantly decreased with increase in material load and microwave output power. The cumulative energy efficiency increased by 9%, and the specific energy consumption decreased by 8% when the material load was increased from 23 to 186 g. The effective diffusivity increased with decrease in material load and increase in microwave output power. The previously published model gave the best fit for data points with $R^2$ and RMSE values of 0.999 and 0.01, respectively. Conclusions: The data obtained from this study could be used as a basis for modeling of large scale industrial microwave dryers for the pellet production.