• Environmental Engineering Research
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• v.16 no.4
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• pp.243-252
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• 2011

Several mathematical relationships have been developed to describe bacterial responses to UV irradiation. Pseudomonas aeruginosa was taken as a bacterial model. The results obtained showed that the kinetics of disinfection is far to be as uniform. In fact, application of the model of Chick-Watson in its original form or modification, taking into account the speed change during the disinfection process, has not significantly improved results. The application of both models of Collins-Selleck and Hom constitute a major opportunity to simulate goodly the kinetics of UV disinfection. The results obtained showed that despite the major advantage held by applying the Hom model in this process of disinfection and for all strains studied, the model of Collins-Selleck gave the best results for the description of the UV inactivation process. The design of reactors, operating in continuous disinfection system, requires taking into account the hydrodynamic behaviour of water in the reactor. Knowing that a reduction of 4-log is necessary in the case of wastewater reuse for irrigation, a model integrating the expression of disinfection kinetics and the hydrodynamics through the UV irradiation room was proposed. The results highlight the interest to develop reactors in series working as four perfectly mixed reactors.

• Transactions of the Korean Society of Automotive Engineers
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• v.9 no.4
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• pp.44-49
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• 2001

Reduced chemical kinetics mechanism has been derived, which can be applicable for autoignition model of hydrocarbon fuels, and contains 23 reactions and 18 species. The present model is validated with the experimental data, where the ignition delays of several hydrocarbon fuels, such as n-heptane, i-octane, n-decane and DME(dimethylether) are measured as equivalence ratios are varied. Especially, the effects of different fuels on ignition delays can be explained by changing the rate constants of three reactions among the present model. As a result, the proposed model can be applicable to two stage ignition model of Diesel combustion.

• Bulletin of the Korean Chemical Society
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• v.26 no.3
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• pp.384-392
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• 2005

Solvent effects on the kinetics of bromophenol blue fading have been investigated within a temperature range in binary mixtures of methanol, ethanol, 1-propanol, ethylene glycol and 1,2-propanediol with water of varying solvent compositions up to 40% by weight of organic solvent component. Correlation of logk with reciprocal of the dielectric constant was linear. Finally a mechanism was proposed for the bromophenol blue fading upon SESMORTAC (study of effect of solvent mixture on the one-step reaction rates using the transition state theory and cage effect) model, by means of this model, the fundamental rate constants of the fading reaction in these solvent systems were calculated.

• Journal of environmental and Sanitary engineering
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• v.16 no.1
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• pp.66-71
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• 2001

The objective of this study was to depict the kinetic behavior of the platinum catalyst for the deep oxidation of aromatic solvents and their binary mixtures. The oxidation kinetics of aromatic solvents, which were benzene, toluene and m-xylene, was studied on a 0.5% $Pt/{\gamma}-Al_2O_3$ catalyst. Deep oxidation of binary mixtures, which were 1:1 in volume, was carried out and the inlet concentration was controlled in the range of 133 and 333ppmv. An approach based on the two-stage redox model was used to analysis the results. The deep oxidation conversion of aromatic solvents was inversely proportional to inlet concentration in plug flow reactor. This trend is due to the zeroth-order kinetics with respect to inlet concentration. The kinetic parameters of multicomponent model were independently evaluated from the single compound oxidation experiments. A simple multicomponent model based on two-stage redox rate model made reasonably good predictions of conversion over the range of parameters studied.

• KOREAN JOURNAL OF PACKAGING SCIENCE & TECHNOLOGY
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• v.21 no.1
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• pp.1-10
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• 2015

Enzyme kinetics-based respiration model can be effectively used for estimating respiration rate in $O_2$ consumption and $CO_2$ production of fresh produce as a function of $O_2$ and $CO_2$ concentrations. Arrhenius equation can be applied to describe the temperature dependence of the respiration rate. Parameters of enzyme kinetics-based respiration model and activation energy of Arrhenius equation were compiled from analysis of literature data and closed system experiment. They enable to estimate the respiration rate for any modified atmosphere conditions at temperature of interest and thus can be used for design of modified atmosphere packaging of fresh produce.

• Food Science and Biotechnology
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• v.17 no.2
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• pp.330-335
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• 2008

Water vapor adsorption kinetics of 3 different types of chitosan-based films, i.e., control chitosan, chitosan/montmorillionite (Na-MMT), and chitosan/silver-zeolite (Ag-Ion) nanocomposite films, were investigated at temperature range of $10-40^{\circ}C$. In all the films, water vapor is initially adsorbed rapidly and then it comes slowly to reach equilibrium condition. Reasonably good straight lines were obtained with plotting of 1/($m-m_0$) vs. l/t. It was found that water vapor adsorption kinetics of chitosan-based films was accurately described by a simple empirical model and the rate constant of the model followed temperature dependence according to Arrhenius equation. Arrhenius kinetic parameters ($E_a$ and $k_o$) for water vapor adsorption by chitosan-based films showed a kinetic compensation effect between the parameters with the isokinetic temperature of 315.52 K.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.04a
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• pp.186-191
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• 2004

Sorption kinetics of 2-chlorophenol(2-ChP), 2,4-dichlorophenol(2,4-DChP) and 2,4,5-trichlorophenol (2,4,5-TChP), onto montmorillonite modified with hexadecyltrimethyl ammonium cations(HDTMA-mont) were investigated. One-site mass transfer model(OSMTM) and two compartment first-order kinetic model(TCFOKM) were used to analyze kinetics. As expected from the number of model parameters involved, the three-parameter TCFOKM was better than the two-parameter OSMTM in describing sorption and desorption kinetics of chlorophenols in HDTMA-mont. For all chlorophenols, the results of OSMTM analysis indicate that the predominant deprotonated speciation(at pH 9.15) exhibited higher mass transfer coefficient( $k_{s}$ ) than the protonated speciation(at pH 4.85). This is because the deprotonated speciation has stronger hydrophobic interaction than protonated speciation. Most sorption completes in three hours. The fraction of the fast sorption and the first-order sorption rate constants for the fast and slow compartments in TCFOKM were determined by fitting experimental data to the TCFOKM. The results of kinetics reveal that the fraction of the fast sorption( $f_1$) and the sorption rate constants in the fast compartments( $k_1$) were in the order 2,4,5-TChP > 2,4-DChP > 2-ChP, which agrees with the magnitude of the $K_{ow}$ . The first-order sorption rate constants in the fast compartment(10$^{0.8}$ - 10$^{1.22}$ h $r^{-1}$ ) were much larger than those in the slow compartment(10$^{-1}$.74/ - 10$^{-2}$.622/ h $r^{-1}$ ).> ).).

• Bulletin of the Korean Chemical Society
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• v.32 no.5
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• pp.1679-1684
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• 2011

Interfacial reactions kinetics often differ from kinetics of bulk reactions. Here, we describe how the density change of an immobilized reactant influences the kinetics of interfacial reactions. Self-assembled monolayers (SAMs) of alkanethiolates on gold were used as a model interface and the Diels-Alder reaction between immobilized quinones and soluble cyclopentadiene was used as a model reaction. The kinetic behavior was studied using varying concentrations of quinones. An unusual threshold density of quinones (${\Gamma}_c$ = 5.2-7.2%), at which the pseudo-first order rate constant started to vary as the reaction progressed, was observed. This unexpected kinetic behavior was attributed to the phase-separation phenomena of multi-component SAMs. Additional experiments using more phase-separated two-component SAMs supported this explanation by revealing a significant decrease in ${\Gamma}_c$ values. When the background hydroxyl group was replaced with carboxylic or phosphoric acid groups, ${\Gamma}_c$ was observed at below 1%. Also, more phase-separated thermodynamically controlled SAMs produced a lower critical density (3% < ${\Gamma}_c$ < 4.9%) than that of the less phaseseparated kinetically controlled SAMs (6.5% < ${\Gamma}_c$ < 8.9%).

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2007.04a
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• pp.143-147
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• 2007

Kerosene and diesel are compounded fuels with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focuses on the prediction of the non-equilibrium reaction of fuel-rich combustion with detailed kinetics developed by Dagaut using PSR(perfectly stirred reactor) assumption. In Dagaut's surrogate model for kerosene and diesel, chemical kinetics consists of 2352 reaction steps with 298 chemical species. Also, Frenklach's soot model was implemented along with detailed kinetics to calculate the gas properties of fuel rich combustion efflux.

• 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.