• Bulletin of the Korean Chemical Society
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• 제34권4호
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• pp.1145-1152
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• 2013

The rate constant of alkaline fading of methyl green ($ME^{2+}$) was measured in the presence of non ionic (TX-100), cationic (DTAB) and anionic (SDS) surfactants. $ME^{2+}$ hydrolyses and fades in neutral water and in this work we search the effects of surfactants on its fading rate. The rate of reaction showed remarkable dependence on the electrical charge of the used surfactants. It was observed that the reaction rate constant decreased in the presence of DTAB and SDS and increased in the presence of TX-100. Binding constants of $ME^{2+}$ to TX-100, DTAB and SDS and the related thermodynamic parameters were obtained by classical (or stoichiometric) model. The results show that binding of $ME^{2+}$ to TX-100 and DTAB are two-region and that of SDS is three-region. Also, the binding constants of $ME^{2+}$ to surfactant molecules in DTAB/TX-100 and SDS/TX-100 mixed solutions and their stoichiometric ratios were obtained.

• 한국수소및신에너지학회논문집
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• 제15권3호
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• pp.175-186
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• 2004

In this paper, we developed the dynamic model of a fuel cell system suitable for controller design and system operation. The transient phenomena captured in the model include the flow characteristics and inertia dynamics of the compressor, the intake manifold filling dynamics, oxygen partial pressures and membrane humidity on the fuel cell voltage. In the simulations, we paid attention to the transient behavior of stack voltage and compressor pressure, stoichiometric ratio. Simulation results are presented to demonstrate the model capability. For load current following, stack voltage dynamic characteristics are plotted to understand the Electro-chemistry involved with the fuel cell system. Compressor pressure and stoichiometric ratio are strongly coupled, and independent parameters may interfere with each other, dynamic response, undershoot and overshoot.

• Bulletin of the Korean Chemical Society
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• 제26권11호
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• pp.1761-1766
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• 2005

Solvolysis rates of isopropenyl chloroformate (3) in water, $D_2O$, $CH_3OD$ and in aqueous methanol, ethanol, 2,2,2-trifluoroethanol (TFE), acetone, 1,4-dioxane as well as TFE-ethanol at 10 ${^{\circ}C}$ are reported. Additional kinetic data for pure water, pure ethanol and 80%(w/w) 2,2,2-trifuoroethanol (T)-water (W) at various temperatures are also reported. These rates show the phenomena of maximum rates in specific solvents (30% (v/v) methanol-water and 20% (v/v) ethanol-water) and, variations in relative rates are small in aqueous alcohols. The kinetic data are analyzed in terms of GW correlations, steric effect, kinetic solvent isotope effects (KSIE), and a third order model based on general base catalysis (GBC). Solvolyses based on predominately stoichiometric solvation effect relative to medium solvation are proceeding in 3 and the results are remarkably similar to those for p-nitrobenzoyl chloride (4) in mechanism and reactivity.

• 한국건설순환자원학회논문집
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• 제9권1호
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• pp.1-12
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• 2021

본 연구에서는 가장 대표적인 AAM 중 하나인 규산나트륨 적용 AAS의 수화물 구성에 대한 화학양론 모델을 개발하고, 이 결과를 열역학적 모델 결과와 비교하였다. 기본적으로 Chen and Brouwers(2007a)의 모델을 기반으로 하였으며, 일부 수화물에 대한 최신의 데이터베이스를 적용해 일부 개선하였다. 계산된 AAS에 대한 결과는 또한 OPC의 그것과도 비교되었다. AAS의 화학양론 모델 기반 수화물의 부피 구성비는 열역학적 모델 결과에 비해 약 최대 20% 이내에서의 차이가 발견되었으며, w/b 및 활성화제량에 의한 변화량의 추이 역시 열역학적 모델의 결과의 그것과 거의 동일하였다. 특히 고정수량과 공극비는 두 가지 모델에 의한 계산 결과가 약 10% 이내의 차이로 근접하였다. 특히 고정수량의 결과는 실험값과도 거의 동일하였다. 그러나 수화물 및 기타 공극 등 각 상들의 부피에 의해 민감하게 결정되는 값인 화학수축의 경우 열역학적 모델에 비해 화학양론적 모델의 계산결과는 실험결과와 차이가 컸다.

• 한국연소학회지
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• 제5권2호
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• pp.19-27
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• 2000

A turbulent combustion model, based on edge flame dynamics, is discussed in order to predict global extinction of turbulent flames. The model is applicable to the broken flamelet regime of turbulent combustion, in which global extinction of turbulent flame is achieved by gradual expansion of flame holes. The edge flame dynamics is the key mechanism to describe the flame hole expansion or contraction. For flames with Lewis numbers near unity, there is a $Damk{\ddot{o}}hler$ number, namely the crossover $Damk{\ddot{o}}hler$ number, at which edge flame changes its direction of propagation. The parametric region between the quasi-steady extinction condition and the edge-flame crossover condition is a metastable region, in that flames without edge can stay in their burning states while flames with edge have to retract to expand quenching holes. Using the above properties of edge flame, Hartley and Dold proposed a Lagrangian hole dynamics, which allows us to simulate transient variation of quenching holes. In their model, each stoichiometric surface is subjected to a random sequence of scalar dissipation rate compatible to the equilibrium turbulence. Then, each stoichiometric surface will evolve, according to the combustion map, dependent on the scalar dissipation rate and existence of flame edge, If all the burning surfaces are annihilated, the event can be declared as a global extinction. The consequence obtained from the above model also can be used as a subgrid model to determine local extinction occurring in a calculation grid.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2002년도 추계학술발표회
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• pp.86-88
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• 2002

The mathematical model was proposed to simulate ozone transport and remediation in unsaturated soils contaminated with phenanthrene. Soil column experiments were also carried out to calibrate the mathematical model. The experimental results successfully matched with the modeling results in various soil conditions. The model proposed nondimensional fraction factor to reveal reactivity between phenanthrene and gas phase ozone and liquid phase ozone. From sensitivity analysis, the fraction factor and stoichiometric coefficient decreased as water content increased. Simulation results showed increased SOM content retarded the ozone transport and the phenanthrene removal due to increased ozone consumption.

• 한국철도학회논문집
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• 제12권1호
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• pp.25-30
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• 2009

본 연구에서는 철도 화재 시 구난역에서의 화재 연기의 거동을 파악하기 위하여 상용코드를 사용하여 수치해석 하였다. 화원의 모사와 화재로 인한 생성물의 거동을 예측하기 위해 stoichiometric상태에서 연료 소모량에 따른 연소생성물의 생성률과 산소 소모율을 VHS 모델에 적용하고 종의 보존 방정식을 해석하는 HVHS 모델을 이용하였다. 해석결과 화재 연기는 온도에 따른 밀도 차에 의해 터널의 천장을 따라 이동 하였으며 열원으로부터 멀어지면서 하강하는 형태를 확인 할 수 있었다. 또한 터널 내 공기는 화원으로 집중되었으며 비사고 터널과 사고 터널의 압력 차에 의해 화재연기는 별다른 환기 시스템 없이도 비사고 터널로 유입되지 않았다.

• 상하수도학회지
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• 제13권3호
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• pp.42-55
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• 1999

A mathematical model for biological nutrient removal in a sequencing batch reactor process, which is based on the IAWQ Activated Sludge Model No. 2 with a few modifications, has been developed. Twenty water quality components and twenty three kinetic equations are incorporated in the model. The model is structured in the matrix form based on the law of mass conservation using stoichiometry and kinetic equations. Stoichiometric coefficients and kinetic parameters included in the model equations are chosen from the literature. A multistep predictor-corrector algorithm of variable step-size is adopted for solving the vector nonlinear ordinary differential equations. The simulation for experimental results is conducted to evaluate the validity of the model and to calibrate coefficients and parameters. The simulation using the model well represents the experimental results from laboratory. The mathematical model developed in this study may be utilized for the design and operation of a sequencing batch reactor process under the steady and unsteady-state at various environmental conditions.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회B
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• pp.2372-2377
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• 2007

Characteristics of turbulent lifted flames in coflow jets with the varying initial temperature have recently been investigated about only propane case diluted by nitrogen. The investigation has firstly improved a premixed flame model and a large scale mixing model among competing theories on the stabilization mechanism of turbulent flame to be suitable for a high temperature condition. In this research, about methane with good availability to apply for a practical combustor as clean fuel, its characteristics of turbulent nonpremixed flame have been studied experimentally. The results have shown an effectiveness of the premixed flame model and the large scale mixing model considered initial temperature variation. Additionally, considering the axial distance where the mean fuel concentration falls below the stoichiometric level along the center line of the jet according to diluting nitrogen, the premixed flame model have more accurately been improved.

• 한국주조공학회지
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• 제20권2호
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• pp.129-140
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• 2000

This study aims at the phase-field modeling of the phase transformation in graphitization of the cast iron. As the first step, we constructed a phase-field model including the phases with negligible solubility. Under the dilute regular solution approximation, a simplified version of the phase-field model was obtained, which can be used for the phase transformation related with the stoichiometric phases. The results from the numerical calculation of the phase-field model was in good agreement with the exact analytic solution. The compositional shift due to Gibbs-Thomson effect can be reproduced within 0.5% error in the numerical calculation. The interface velocity, whereas, in numerical calculation of phase-field model appeared to be 15% larger than that from the analytic solution. This error is due to the shift of the interface position in phase-field model from the position with ${\phi}=0.5$.