• Korean Chemical Engineering Research
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• v.46 no.1
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• pp.142-146
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• 2008

Titanium silicalite-1 catalyst was prepared using a $SiO_2-TiO_2$ xerogel and applied to allylchloride (ALC) epoxidation by $H_2O_2$ as oxidant in a batch reactor. The reaction temperature was varied from 25 to $55^{\circ}C$, and the concentrations of ALC and $H_2O_2$ were changed from 0.2 to 3 M and from 0.2 to 1.5 M, respectively. The kinetic data obtained were applied to the power rate law, Eley-Rideal, and a Langmuir-Hinshelwood model, and power rate law fits the experimental data best. Activation energy was 27.9 kJ/mol, and the reaction orders with respect to $H_2O_2$ and ALC were determined to be 0.41 and 0.52, respectively.

• Journal of Ginseng Research
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• v.39 no.4
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• pp.304-313
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• 2015

Background: Ginsenoside Rg3 is a promising anticancer agent. It is usually produced by heat treatment of ginseng, in which ginsenoside Rb1 is the major ginsenoside. A kinetic study was conducted to optimize ginsenoside Rg3 production by the heat treatment of ginsenoside Rb1. Methods: Ginsenoside Rb1 was heated using an isothermal machine at $80^{\circ}C$ and $100^{\circ}C$ and analyzed using HPLC. The kinetic parameters were calculated from the experimental results. The activation energy was estimated and used to simulate the process. The optimized parameters of ginsenoside Rg3 production are suggested based on the simulation. Results: The rate constants were $0.013h^{-1}$ and $0.073h^{-1}$ for the degradation of ginsenosides Rb1 and Rg3 at $80^{\circ}C$, respectively. The corresponding rate constants at $100^{\circ}C$ were $0.045h^{-1}$ and $0.155h^{-1}$. The estimated activation energies of degradation of ginsenosides Rb1 and Rg3 were 69.2 kJ/mol and 40.9 kJ/mol, respectively. The rate constants at different temperatures were evaluated using the estimated activation energies, and the kinetic profiles of ginsenosides Rb1 and Rg3 at each temperature were simulated based on the proposed kinetic model of consecutive reaction. The optimum strategies for producing ginsenoside Rg3 from ginsenoside Rb1 are suggested based on the simulation. With increased temperature, a high concentration of ginsenoside Rg3 is formed rapidly. However, the concentration decreases quickly after the reaching the maximal concentration value. Conclusion: The optimum temperature for producing ginsenoside Rg3 should be the highest temperature technically feasible below $180^{\circ}C$, in consideration of the cooling time. The optimum reaction time for heat treatment is 30 min.

• Journal of the Korean Society of Propulsion Engineers
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• v.20 no.2
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• pp.46-55
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• 2016

The kinetic analysis of a heavily aluminized cyclotrimethylene-trinitramine(RDX) is conducted using differential scanning calorimetry(DSC), and the Friedman isoconversional method is applied to the DSC experimental data. The pre-exponential factor and activation energy are extracted as a function of the product mass fraction. The extracted kinetic scheme does not assume multiple chemical steps to describe the complex response of energetic materials; instead, a set of multiple Arrhenius factors is constructed based on the local progress of the exothermic reaction. The resulting reaction kinetic scheme is applied to two thermal decomposition tests for validating the reactive flow response of a heavily aluminized RDX. The results support applicability of the present model to practical thermal explosion systems.

• Applied Chemistry for Engineering
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• v.29 no.4
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• pp.369-375
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• 2018

Batch experiments were conducted to investigate the effects of operating parameters such as the temperature, initial concentration, contact time and adsorbent dosage on the adsorption of antibiotics amoxicillin (AMX) by waste citrus peel based activated carbon (WCAC). The kinetics and isotherm experiment data can be well described with the pseudo-second order model and the Langmuir isotherm model, respectively. The maximum adsorption capacity of AMX by WCAC calculated from the Langmuir isotherm model was 125 mg/g. The adsorption of AMX by WCAC shows that the film diffusion (external mass transfer) and the intraparticle diffusion occur simultaneously during the adsorption process. The adsorption rate is more influenced by the intraparticle diffusion than that of the external mass transfer as the particle size of WCAC increases, and the intraparticle diffusion is the rate controlling step. The thermodynamic parameters indicated that the adsorption reaction of AMX by WCAC was an endothermic and spontaneous process.

• Applied Chemistry for Engineering
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• v.30 no.2
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• pp.190-197
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• 2019

The adsorption of methyl green dye using an activated carbon from an aqueous solution was investigated. Adsorption experiments were carried out as a function of the adsorbent dose, initial concentration, contact time and temperature. The Langmuir isotherm model showed a good fit to the equilibrium adsorption data. Based on the estimated Langmuir separation factor, ($R_L=0.02{\sim}0.106$), this process could be employed as the effective treatment (0 < $R_L$ < 1). It was found that the adsorption was a physical process with the adsorption energy (E) value range between 316.869 and 340.049 J/mol obtained using Dubinin-Radushkevich equation. The isothermal saturation capacity obtained from brunauer emmett teller (BET) model increased with increasing the temperature. The kinetics of adsorption followed a pseudo second order model. The free energy and enthalphy values of -5.421~-7.889 and 31.915 kJ/mol, respectively indicated that the adsorption process follows spontaneous endothermic reaction. The isosteric heat of adsorption increased with the increase of equilibrium adsorption amounts, and the total interaction of the adsorbent - adsorbate increased as the surface coverage increased.

• Journal of Korean Society of Environmental Engineers
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• v.22 no.10
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• pp.1869-1879
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• 2000

A series of experiments were conducted for modeling the fate and effect of the coupled oxidation reduction reaction of ethanol and propionate recognized as important intermediates in anaerobic degradation metabolism. Anaerobic kinetics for conversion of propionate and the interaction with ethanol were investigated using the model of specific substrate priority utilization effect. Seed cultures for the experiment were obtained from an anaerobically enriched steady-state propionate master culture reactor (HPr-MCR), ethanol-propionate master culture reactor (EtPr-MCR) and glucose master culture reactor (Glu-MCR). Experiments were consisted of four phases. Phase I, II and III were conducted by fixing the propionate organic loading as 1.0 g COD/L with increasing ethanol loading of 0, 100, 200, 400 and 1,000 mg/L, to find metabolic interaction of ethanol and propionate degradation by each enriched anaerobic culture. In phase IV, different mixing ratios of Glu-MCR and HPr-MCR cultures with fixed propionate organic loading, 1.0 g COD/L, were applied to observe the propionate degradation metabolic behavior. In the results of this study, different pathways of propionate and ethanol conversion were found using a modified competitive inhibition kinetic model. Increase of $K_{s2}$ value reflected the formation of acetate followed by ethanol degradation. In addition. $K_3$ value was increased slightly as the reactions of acetate formation and degradation were occurred in acetoclastic methanogenesis.

• Journal of Korean Society of Environmental Engineers
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• v.27 no.10
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• pp.1114-1122
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• 2005

This research investigates the effects of sonication mode, reaction temperature and volume on sonolysis of 1,4-dioxane in order to increase the degradation efficiency and kinetics. The degradation efficiency in case with pulse mode was about 10 % higher than that in case with continuous mode. The degradation profiles in both cases, which were performed without the control of reaction temperature and in 1000 mL, were composed of three steps. However, 1,4-D was mainly degraded in the initiation step as the first portion and the acceleration step as the second portion. The initial step agreed with zero-order expression well, while the acceleration step could be fitted with pseudo 1st-order expression. The kinetic model in case with $5^{\circ}C$ and 300 mL conformed to pseudo 1st-order, while that in cases with $10^{\circ}C$ to $40^{\circ}C$ agreed with zero-order expression. The degradation efficiency and profile of 1,4-D in the experiment with $20^{\circ}C$ and 300 mL was higher and simpler than that in case with $20^{\circ}C$ and 1000 mL. The reaction temperature and volume influence bubble intensity, which was produced in sonication. The increase of bubble intensity induced to augment the production of OH radical in sonication.

• Clean Technology
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• v.20 no.4
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• pp.425-432
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• 2014

The effect of two important parameters of a catalytic membrane reactor (CMR), hydrogen selectivity and hydrogen permeance, coupled with an Ar sweep flow and an operating pressure on the performance of a water gas shift reaction in a CMR has been extensively studied using a one-dimensional reactor model and reaction kinetics. As an alternative pre-combustion $CO_2$ capture method, the feasibility of capturing a pressurized and concentrated $CO_2$ in a retentate (a shell side of a CMR) and separating a purified $H_2$ in a permeate (a tube side of a CMR) simultaneously in a CMR was examined and a guideline for a hydrogen permeance, a hydrogen selectivity, an Ar sweep flow rate, and an operating pressure to achieve a simultaneous capture of a concentrate $CO_2$ in a retentate and production of a purified $H_2$ in a permeate is presented. For example, with an operating pressure of 8 atm and Ar sweep gas for rate of $6.7{\times}10^{-4}mols^{-1}$, a concentrated $CO_2$ in a retentate (~90%) and a purified $H_2$ in a permeate (~100%) was simultaneously obtained in a CMR fitted with a membrane with hydrogen permeance of $1{\times}10^{-8}molm^{-2}s^{-1}Pa^{-1}$ and a hydrogen selectivity of 10000.

• Korean Chemical Engineering Research
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• v.51 no.4
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• pp.506-512
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• 2013

Biomass and low-grade coals are known to be better potential sources of energy compared to crude oil and natural gas since these materials are readily available and found to have large reserves, respectively. Gasification of these carbonaceous materials produced syngas for chemical synthesis and power generation. Woodchip, sawdust and lignite were gasified with steam in a thermobalance reactor under atmospheric pressure in order to evaluate their kinetic rate information. The effects of gasification temperature ($600{\sim}900^{\circ}C$) and partial pressure of steam (20~90 kPa) on the gasification rate were investigated. The three different types of gas-solid reaction models were applied to the experimental data to predict the behavior of the gasification reactions. The modified volumetric model predicted the conversion data well, thus the model was used to evaluate kinetic parameters in this study. The observed activation energy of biomass, sawdust and lignite gasification reactions were found to be in reasonable range and their rank was found to be sawdust > woodchip > lignite. The expression of apparent reaction rates for steam gasification of the three solids was proposed to provide basic information on the design of coal gasification processes.

• Korean Chemical Engineering Research
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• v.54 no.6
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• pp.847-853
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• 2016

Here has been examined a 3-dimensional computational fluid dynamics (CFD) modeling in order to investigate the performance analysis of proton exchange membrane (PEM) fuel cells with serpentine flow fields. The present CFD model considers the isothermal transport phenomena in a fuel cell involving mass, momentum transport, electrode kinetics, and potential fields. Co-current flow patterns for a PEMFC are considered for various geometries in the single straight cell. Current density distribution from the calculated distribution of oxygen and hydrogen mass fractions has been determined, where the activation overpotential has been also calculated within anode and cathode. CFD results showed that profiles differ from those simulations subjected to each the calculated activation overpotential. It is interesting that the present serpentine flow field shows the specific distribution of current density with respect to the aspect ratio of depth to width and the ratio of reaction area for various serpentine geometries. Simulation results were considered reasonable with the other CFD results reported in literature and global comparisons of the PEMFC model.