• Title/Summary/Keyword: Non-linear Surface Reaction Model

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A Study on the Non-linear Surface Reaction Model for the GaAs Film Growth During MOCVD Process (MOCVD공정을 이용한 GaAs박막성장의 비선형 표면반응모델에 대한 연구)

  • Im, Ik-Tae
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.32 no.3
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    • pp.181-189
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    • 2008
  • GaAs film growth process from trimethylgallium(TMGa) and tertiary-butylarsine(TBAs) using a horizontal MOCVD reactor was numerically studied to explain the experimental result that the decreasing surface reaction rate as the increasing partial pressure of group III species. Using the non-linear model based on the Langmuir isotherm which considers the adsorption and desorption of molecules, film deposition over the entire reactor scale was predicted by computational fluid dynamics (CFD) with the aid of the parameters obtained from the selective area growth (SAG) technique. CFD Results using the non-linear surface reaction model with the parameters determined from the SAG experiments predicted too high film growth rate compared to the measured values at the downstream region where the temperature was decreased abruptly. The pairs of ($k_s^n$, K) from the numerical simulations was $(2.52{\times}10K^{-6}mol/m^2/s,\;1.6{\times}10^5m^3/mol)$, whereas the experimentally determined was $(3.58{\times}10^{-5}mol/m^2/s,\;6.9{\times}10^5m^3/mol)$.

A Study of $NH_3$ Adsorption/Desorption Characteristics in the Monolithic $NH_3-SCR$ Reactor (모노리스 $NH_3-SCR$ 반응기 내에서의 $NH_3$ 흡.탈착 특성에 대한 연구)

  • Wang, Tae-Joong;Baek, Seung-Wook;Jung, Myung-Geun;Yeo, Gwon-Koo
    • Transactions of the Korean Society of Automotive Engineers
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    • v.14 no.3
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    • pp.125-132
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    • 2006
  • Transient kinetics of $NH_3$ adsorption/desorption and of SCR(selective catalytic reduction) of NO with $NH_3$ were studied over vanadium based catalysts, such as $V_2O_5/TiO_2$ and $V_2O_5-WO_3/TiO_2$. In the present catalytic reaction process, NO adsorption is neglected while $NH_3$ is strongly chemisorbed on the catalytic surface. Accordingly, it is ruled out the possibility of a reaction between strongly adsorbed $NH_3$ and NO species in line with the hypothesis of an Eley-Rideal mechanism. The present kinetic model assumes; (1) non-activated $NH_3$ adsorption, (2) Temkin-type $NH_3$ coverage dependence of the desorption energy, (3) non-linear dependence of the SCR reaction rate on the $NH_3$ surface coverage. Thus, the surface heterogeneity for adsorption/desorption of $NH_3$ is taken into account in this model. The present study extends the pure chemical kinetic model based on a powdered-phase catalytic system to the chemico-physical one applicable to a realistic monolith reactor.

Optimal Design of Ferromagnetic Pole Pieces for Transmission Torque Ripple Reduction in a Magnetic-Geared Machine

  • Kim, Sung-Jin;Park, Eui-Jong;Kim, Yong-Jae
    • Journal of Electrical Engineering and Technology
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    • v.11 no.6
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    • pp.1628-1633
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    • 2016
  • This paper derives an effective shape of the ferromagnetic pole pieces (low-speed rotor) for the reduction of transmission torque ripple in a magnetic-geared machine based on a Box-Behnken design (BBD). In particular, using a non-linear finite element method (FEM) based on 2-D numerical analysis, we conduct a numerical investigation and analysis between independent variables (selected by the BBD) and reaction variables. In addition, we derive a regression equation for reaction variables according to the independent variables by using multiple regression analysis and analysis of variance (ANOVA). We assess the validity of the optimized design by comparing characteristics of the optimized model derived from a response surface analysis and an initial model.

Adsorption Characterization of Cd by Coal Fly Ash Using Response Surface Methodology (RSM) (반응표면분석법을 이용한 석탄회에서의 Cd 흡착특성에 관한 연구)

  • An, Sangwoo;Choi, Jaeyoung;Cha, Minwhan;Park, Jaewoo
    • Journal of the Korean GEO-environmental Society
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    • v.11 no.1
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    • pp.19-26
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    • 2010
  • The batch experiments and response surface methodology (RSM) have been applied to the investigation of the cadmium (Cd) adsorption by coal fly ash (CFA). CFA having maximum Cd removal mass of 8.51 mg/g were calculated from Langmuir model. Cd removal reaction with different initial pH ranged from 4 to 9. When the initial pH was higher, Cd was removed more by adsorption and precipitation. These results suggest that the lower pH cause an increase of $H^+$ ion concentration which competed with Cd ions for exchange sites in CFA. Also, The Cd adsorption was mathematically described as a function of parameters initial Cd concentration ($X_1$), initial pH ($X_2$), and initial CFA mass ($X_3$) being modeled by use of the Box-Behnken methods. Empirical models were developed to describe relationship between the experimental variables and response. Statistical analysis indicates that tree factors ($X_1$, $X_2$, and $X_3$) on the linear term (main effects), and tree factors ($X_1X_2$, $X_1X_3$, and $X_2X_3$) on the non-linear term (Interaction effect; cross-product) had significant effects, respectively. In this case, the value of the adjusted determination coefficient (adjusted $R^2=0.9280$) was closed to 1, showing a high significance of the model. Statistical results showed the order of Cd removal at experimental factors to be initial initial pH > initial Cd concentration > initial CFA mass.

Population Pharmacokinetics of Cyclosporine after Hematopoietic Stem Cell Transplantation in Pediatric Patients (조혈모세포 이식을 받은 소아 환자에서 cyclosporine의 집단 약동학 분석)

  • Cho, So Yeon;Kang, Wonku;Yee, Jeong;Kim, Jae Youn;An, Sook Hee;Gwak, Hye Sun
    • Korean Journal of Clinical Pharmacy
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    • v.28 no.1
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    • pp.24-29
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    • 2018
  • Background: Cyclosporine is an immunosuppressive agent used to treat and prevent graft versus host reaction (GVHR)-a complication associated with stem cell transplantation. This study aimed to develop a population pharmacokinetic model of cyclosporine and investigate factors affecting cyclosporine clearance in pediatric hematopoietic stem cell transplant patients. Methods: A total of 650 cyclosporine concentrations recorded in 65 patients who underwent hematopoietic stem cell transplantation were used. Data including age, sex, weight, height, body surface area (BSA), type of disease, chemotherapy before stem cell transplantation, type of donor, serum creatinine levels, total bilirubin concentration, hematocrit value, and type of concomitant anti-fungal agents and methylprednisolone used were retrospectively collected. Data related to cyclosporine dosage, administration time, and blood concentration were also collected. All data were analyzed using the non-linear mixed effect model; a two-compartment model with first-order elimination was used. Results: The population pharmacokinetic model of cyclosporine using the NONMEM program was as follows: $CL(L/h)=5.9{\times}(BSA/1.2)^{0.9}$, V2 (L) = 54.5, Q (L/h) = 3.5, V3 (L) = 1080.0, $k_a(h^{-1})=0.000377$. BSA was selected as a covariate of cyclosporine clearance, which increased with an increase in BSA. Conclusion: A population pharmacokinetic model for Korean pediatric hematopoietic stem cell transplant patients was developed, and the important factor affecting cyclosporine clearance was found to be BSA. The model might contribute to the development of the most appropriate dosing regimen for cyclosporine. Further studies on population pharmacokinetics should be carried out, prospectively targeting pediatric patients.

Current Conservation Factors for Consistent One-Dimensional Neutronics Modeling

  • Lee, Kibog;Joo, Han-Gyu;Cho, Byung-Oh;Zee, Sung-Quun
    • Nuclear Engineering and Technology
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    • v.32 no.3
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    • pp.235-243
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    • 2000
  • A one-dimensional neutronics formulation is established within the framework of the nonlinear analytic nodal method such that it can result in consistent one-dimensional models that produce the same axial information as their corresponding reference three-dimension81 models. Consistency is achieved by conserving axial interface currents as well as the planar reaction rates of the three-dimensional case. For current conservation, flux discontinuity is introduced in the solution of the two-node problem. The degree of discontinuity, named the current conservation factor, is determined such that the surface averaged axial current of the reference three-dimensional case can be retrieved from the two-node calculation involving the radially collapsed group constants and the discontinuity factor. The current conservation factors are derived from the analytic nodal method and various core configurations are analyzed to show that the errors in K-eff and power distributions can be reduced by a order of magnitude by the use of the current conservation factor with no significant computational overhead.

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