• 한국자동차공학회논문집
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• 제21권2호
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• pp.37-44
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• 2013

Generally, a reduced chemical mechanism of n-heptane is used as chemical fuel of a 3-D diesel engine simulation because diesel fuel consists of hundreds of chemical components and various chemical classes so that it is very complex and large to use for the calculation. However, the importance of fuel in a 3-D simulation increases because detailed fuel characteristics are the key factor in the recent engine research such as homogeneous charged compression ignition engine. In this study, normal paraffin, iso paraffin and aromatics were selected to represent diesel characteristics and n-dodecane was used as a representative normal paraffin to describe the heavy molecular weight of diesel oil (C10~C20). Reduced kinetics of iso-octane and toluene which are representative species of iso paraffin and aromatics respectively were developed in the previous study. Some species were selected based on the sensitivity analysis and a mechanism was developed based on the general oxidation scheme. The ignition delay times, maximum pressure and temperature of the new reduced n-dodecane chemical mechanisms were well matched to the detailed mechanism data.

• 한국자동차공학회논문집
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• 제9권4호
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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.

• Advances in Energy Research
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• 제4권3호
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• pp.213-221
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• 2016

The main purpose of this work is to test the validation of use of a four step reaction mechanism to simulate the laminar speed of hydrogen enriched methane flame. The laminar velocities of hydrogen-methane-air mixtures are very important in designing and predicting the progress of combustion and performance of combustion systems where hydrogen is used as fuel. In this work, laminar flame velocities of different composition of hydrogen-methane-air mixtures (from 0% to 40% hydrogen) have been calculated for variable equivalence ratios (from 0.5 to 1.5) using the flame propagation module (FSC) of the chemical kinetics software Chemkin 4.02. Our results were tested against an extended database of laminar flame speed measurements from the literature and good agreements were obtained especially for fuel lean and stoichiometric mixtures for the whole range of hydrogen blends. However, in the case of fuel rich mixtures, a slight overprediction (about 10%) is observed. Note that this overprediction decreases significantly with increasing hydrogen content. This research demonstrates that reduced chemical kinetics mechanisms can well reproduce the laminar burning velocity of methane-hydrogen-air mixtures at lean and stoichiometric mixture flame for hydrogen content in the fuel up to 40%. The use of such reduced mechanisms in complex combustion device can reduce the available computational resources and cost because the number of species is reduced.

• 한국자동차공학회논문집
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• 제16권6호
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• pp.74-80
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• 2008

A combustion of CAI engine is purely dominated by fuel chemical reactions. In order to simulate the combustion of CAI engine, it should be considered the effect of fuel components and chemical kinetics. So it needs enormous computational power. To overcome this problem reduced problem of needing massive computational power, chemical kinetic mechanism and multi-zone method is proposed here in this paper. A reduced chemical kinetic mechanism for a gasoline surrogate was used in this study for a CAI combustion. This gasoline surrogate was modeled as a blend of iso-octane, n-heptane, and toluene. For the analysis of CAI combustion, a multi-zone method as combustion model for a CAI engine was developed and incorporated into the computational fluid dynamics code, STAR-CD, for computing efficiency. This coupled multi-zone model can calculate 3 dimensional computational fluid dynamics and multi-zoned chemical reaction simultaneously in one time step. In other words, every computational cell interacts with the adjacent cells during the chemical reaction process. It can enhance the reality of multi-zone model. A greatly time-saving and yet still relatively accurate CAI combustion simulation model based on the above mentioned two efficient methodologies, is thus proposed.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2012년도 제45회 KOSCO SYMPOSIUM 초록집
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• pp.309-310
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• 2012

Modeling of biodiesel combustion on compression ignition engine was conducted by using the KIVA3v-Release 2 code coupled with Chemkin chemistry solver2. In order to calculate the chemical kinetics of combustion of biodiesel, a reduced mechanism of methyl decanoate and methyl 9-decanoate was used. It is composed of 123 species and 394 reactions. Also, the experiments were performed on a single-cylinder engine. The simulation results agreed well with experiments results. And soot concentrations of biodiesel were lower than those of diesel.

• 한국펄프종이공학회:학술대회논문집
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• 한국펄프종이공학회 1999년도 Proceedings of Pre-symposium of the 10th ISWPC
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• pp.109-114
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• 1999

The deposition kinetics of fines on fibres was studied to elucidate the flocculation mechanism of a PAM/bentonite retention aid. It is shown that polymer-induced co-flocculation is not permanent. This phenomenon is attributed to a stabilising effect of polymer transfer between surfaces. The resulting polymer layers have a reduced bridging ability with naked surfaces. The addition of bentonite increases the bond strength between fibres and fines, and links non-briding layers. These results explain the positive influence of bentonite on fines retention.

• Bulletin of the Korean Chemical Society
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• 제9권2호
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• pp.81-84
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• 1988

The CO oxidation was performed on $H_2$-reduced NiO-${\alpha}-Fe_2O_3$ in the temperature range 150-$250^{\circ}C$. The kinetic study and the conductivity measurements indicate the oxidation reaction follows Langmuir-Rideal type process that is uncommon in heterogeneous catalyst$^1$. No active site is found on the catalyst surface for CO adsorption, but an oxygen vacancy adsorbs an oxygen, and this step is rate initiation. The partial orders are half for $O_2$ and first for CO, respectively. Apparent activation energy for over-all reaction is 9.05 kcal/mol.

• Mass Spectrometry Letters
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• 제8권1호
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• pp.1-7
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• 2017

Studies performed on heterogeneous reactions of hydroxyl radicals (OH) in aerosol materials of tropospheric interest are presented, focusing on the chemical ionization mass spectrometric approach. Kinetic investigations of these reactions reduced deviation in the estimation of OH concentration in the troposphere by atmospheric modeling from field measurements. Recently, OH uptake was investigated under wet conditions to acquire kinetic information under more realistic conditions representative of the troposphere. The information on the mechanism and kinetics of OH uptake by tropospheric aerosol materials will contribute to the updating of atmospheric models, allowing a better understanding of the troposphere.

• Bulletin of the Korean Chemical Society
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• 제11권4호
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• pp.281-286
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• 1990

The kinetics and mechanism of reduction of Cu(II) with an excess D-penicillamine have been examined at pH = 6.2 and 0.60M in ionic strength. The reaction at the initial stage is biphasic with a rapid complexation process to give "red" transient complex of $[Cu(II)(pen)_2]^2$- that is partially reduced to another transient "brown" intermediate. The "brown" intermediate is finally reduced to diamagnetic "yellow" complex, $[Cu(I)(Hpen)]_n$. The final reduction process is pseudo-first order in ["brown" transient] disappearance $with {\kappa} = {{\kappa}_{3a} + {\kappa}_{3b}[pen]^{2-}},$ where ${\kappa}_{3a} = (5.0{\pm}0.8){\times}10^{-3}sec^{-1}$ and ${\kappa} = (0.14{\pm}0.02) M^{-1}sec^{-1}$ at $25^{\circ}C$. The activation parameters for the $[H_2pen]$-independent and $[H_2pen]$-dependent paths are ${\Delta}H^{\neq} = (52{\pm}5)kJmol^{-1},$ and ${\Delta}S^{\neq} = ( - 27{\pm}3)JK^{-1}mo^{l-1},$ and ${\Delta}H^{\neq} = (56{\pm}2)kJmol^{-1}$ and ${\Delta} S^{\neq} = ( - 18{\pm}0.7)JK^{-1}mol^{-1}$ respectively. The nature of "brown" intermediate is not clearly identified, but this intermediate seems to be in the mixed-valence state, judging from the kinetic and spectroscopic informations.

• 대한금속재료학회지
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• 제49권1호
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• pp.52-57
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• 2011

Nickel ferrite ($NiFe_2O_4$) powder was prepared through the ceramic route by calcination of a stoichiometric mixture of nickel oxide (NiO) and iron oxide ($Fe_2O_3$). The pressed pellets of $NiFe_2O_4$ were isothermally reduced in pure hydrogen at 800, 900, 1000 and $1100^{\circ}C$. Based on thermogravimetric analysis, the reduction behavior and the kinetic reaction mechanisms of the synthesized ferrite were studied. The initial ferrite powder and various reduction products were characterized by XRD, SEM, reflected light microscope and VSM to reveal the effect of hydrogen reduction on the composition, microstructure, magnetic properties and reaction kinetics of the produced Fe-Ni alloy. Complete reduction of the $NiFe_2O_4$ was achieved with synthesis of homogeneous nanocrystalline Fe-Ni alloys. Arrhenius equation with the approved mathematical formulations for a gas-solid reaction was applied for calculating the activation energy ($E_a$) values and detecting the controlling reaction mechanism.