• Applied Chemistry for Engineering
• /
• v.29 no.5
• /
• pp.510-518
• /
• 2018

Recently, lots of interests have been concentrated on the scrubber system that abates waste gases produced from semiconductor manufacturing processes. An effective design of the thermal decomposition reactor inside a scrubber system is significantly important since it is directly related to the removal performance of pollutants and overall stabilities. In the present study, a computational fluid dynamics (CFD) analysis was conducted to figure out the thermal and flow characteristics inside the reactor of wet scrubber. In order to verify the numerical method, the temperature at several monitoring points was compared to that of experimental results. Average error rates of 1.27~2.27% between both the results were achieved, and numerical results of the temperature distribution were in good agreement with the experimental data. By using the validated numerical method, the effect of the reactor geometry on the heat transfer rate was also taken into consideration. From the result, it was observed that the flow and temperature uniformity were significantly improved. Overall, our current study could provide useful information to identify the fluid behavior and thermal performance for various scrubber systems.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.21 no.8
• /
• pp.1024-1033
• /
• 1997

The past several years have witnessed an ever-increasing acceptance and adoption of parallel processing, both for high performance scientific computing as well as for more general purpose applications. Furthermore with increasing needs to perform the complex flow calculations in an efficient manner, the use of the message passing model on distributed networks has emerged as an important alternative to the expensive supercomputers. This work attempts to provide a generic framework to enable the parallelization of all CFD-related works using the master-slave model. This framework consists of (1) input geometry, (2) domain decomposition, (3) grid generation, (4) flow computations, (5) flow visualization, and (6) output display as the sequential components, but performs computations for (2) to (5) in parallel on the workstation clustering. The flow computations are parallized by having multiple copies of the flow-code to solve a PDE on different spatial regions on different processors, while their flow data are exchanged across the region boundaries, and the solution is time-stepped. The Parallel Virtual Machine (PVM) is used for distributed communication in this work.

• Transactions of the Korean Society of Automotive Engineers
• /
• v.1 no.3
• /
• pp.83-94
• /
• 1993

Design and production of wiring for automobile systems provide the background for the development of concurrent engineering framwork. Key issues include with different parts of the wiring design process and the development of hierarchical representations that capture the different characteristics(e.g., connectivity, geometry) of the harnesses. The abstraction of design information results in features, while the abstraction of operations leads to the development of agents. These abstracts are essential for efficient transactions among people and computer tools in a domain that involves numerous interacting constraints. We have decomposed the wiring design process into four basic categories of tasks that are each addressed by an "agent" : the Environment Editor(EE), the Free Space Manager(FSM), the Wiring Editor(WE), and the Part Selector(PS). In this paper the strategy for the problem decomposition, the definition of features, and the ways in which features are used by various agents, are discussed. We conclude with a discussion of some of the issues raised by the project and the steps underway to address them.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.7
• /
• pp.1573-1578
• /
• 2009

A computational study of the reactions between Zn-containing species, the products of the thermal decomposition of diethylzinc (DEZn) and water was investigated. The Zn-containing species – $C_2H_5)_2,\;HZnC_2H_5,\;and\;(ZnC_2H_5)_2$ – were assumed to react with water during ZnO metal organic chemical vapor deposition (MOCVD). Density functional theory (DFT) calculations at the level of B3LYP/6-311G(d) were employed for the geometry optimization and thermodynamic property evaluation. As a result dihydroxozinc, $Zn(OH)_2$, was the most probable reaction product common for all three Zn-containing species. A further clustering of $Zn(OH)_2$ was investigated to understand the initial stage of ZnO film deposition. In experiments, the reactions of DEZn and water were examined by in-situ Raman scattering in a specially designed MOCVD reactor. Although direct evidence of $Zn(OH)_2$ was not observed, some relevant reaction intermediates were successfully detected to support the validity of the gas phase reaction pathways proposed in the computational study.

• Wind and Structures
• /
• v.11 no.1
• /
• pp.51-70
• /
• 2008

CFD is applied to evaluate pedestrian wind comfort at outdoor platforms in a high-rise apartment building. Model validation is focused on generic building sub-configurations that are obtained by decomposition of the actual complex building geometry. The comfort study is performed during the design stage, which allows structural design changes to be made for wind comfort improvement. Preliminary simulations are performed to determine the effect of different design modifications. A full wind comfort assessment study is conducted for the final design. Structural remedial measures for this building, aimed at reducing pressure short-circuiting, appear to be successful in bringing the discomfort probability estimates down to acceptable levels. Finally, the importance of one of the main sources of uncertainty in this type of wind comfort studies is illustrated. It is shown that the uncertainty about the terrain roughness classification can strongly influence the outcome of wind comfort studies and can lead to wrong decisions. This problem is present to the same extent in both wind tunnel and CFD wind comfort studies when applying the same particular procedure for terrain relation contributions as used in this paper.

• Nuclear Engineering and Technology
• /
• v.54 no.7
• /
• pp.2625-2634
• /
• 2022

Discretization errors are extremely challenging conundrums of discrete ordinates calculations for radiation transport problems with void regions. In previous work, we have presented a multi-collision source method (MCS) to overcome discretization errors, but the efficiency needs to be improved. This paper proposes a goal-oriented algorithm for the MCS method to adaptively determine the partitioning of the geometry and dynamically change the angular quadrature in remaining iterations. The importance factor based on the adjoint transport calculation obtains the response function to get a problem-dependent, goal-oriented spatial decomposition. The difference in the scalar fluxes from one high-order quadrature set to a lower one provides the error estimation as a driving force behind the dynamic quadrature. The goal-oriented algorithm allows optimizing by using ray-tracing technology or high-order quadrature sets in the first few iterations and arranging the integration order of the remaining iterations from high to low. The algorithm has been implemented in the 3D transport code ARES and was tested on the Kobayashi benchmarks. The numerical results show a reduction in computation time on these problems for the same desired level of accuracy as compared to the standard ARES code, and it has clear advantages over the traditional MCS method in solving radiation transport problems with reflective boundary conditions.

• Journal of the Korean Chemical Society
• /
• v.47 no.6
• /
• pp.553-558
• /
• 2003

The crystal structure of $[n-Bu_4N]_2[Mo_6O_{19}]$(TBAM) (n-Bu4N=tetrabutylammonium) has been determined by X-ray crystallography. It crystallizes in the monoclinic system, space group C2/c, with lattice parameters ${\alpha}$=16.314(5), b=17.288(5), c=17.776(4)${\AA}$ ${\beta}$=101.47(3), and Z=4. In $[Mo_6O{19}]^{2-}$ anion, Mo atoms occupy six vertices of octahedron and each Mo atom is coordinated by six oxygen atoms to adopt distorted octahedral coordination geometry. The average bond distance of Mo-Ot (terminal), Mo-Ob (bridged) and Mo-Oc (central) are 1.680 ${\AA}$, 1.931 ${\AA}$ and 2.325 ${\AA}$ respectively. In $[n-Bu_4N]^+$ cation, the N atom possesses a slightly distorted tetrahedral geometry. There are some potential extensive C-H ${\cdots}$ O hydrogen bonds in the lattice, by which connecte molecules and stabilize the crystal structure. Thermogravimetric analysis suggests that thermal decomposition of the title compound includes two transitions and it loses weight at 356.0 and 803.5 $^{\circ}$, respectively, and the residue presumable be $Mo_2O_2$. Accordingly, the title compound has high thermal stability.

• Analytical Science and Technology
• /
• v.18 no.5
• /
• pp.381-385
• /
• 2005

The title compound, $\{H_2NCH_2CH_2NH_2CH_2CH_2\}\{Cu(H_2O)_6\}(SO_4)_2$, I, has been synthesized under solvo/hydrothermal conditions and their crystal structure analyzed by X-ray single crystallography. Compound I crystallizes in the monoclinic system, $P2_1/n$ space group with a = 6.852(1), b = 10.160(2), $c=11.893(1){\AA}$, ${\beta}=92.928(8)^{\circ}$, $V=826.9(2){\AA}^3$, Z = 2, $D_x=1.815g/cm^3$, $R_1=0.031$ and ${\omega}R_2=0.084$. The crystal structure of the piperazine templated Cu(II)-sulfate demonstrate zero-dimensional compound constituted by doubly protonated piperazine cations, hexahydrated copper cations and sulfate anions. The central Cu atom has a elongated octahedral coordination geometry. The crystal structure is stabilized by three-dimensional networks of the intermolecular $O_{water}-H{\cdots}O_{sulfate}$ and $N_{pip}-H{\cdots}O_{sulfate}$ hydrogen bonds between the water molecules and sulfate anions and protonated piperazine cations. Based on the results of thermal analysis, the thermal decomposition reaction of compound I was analyzed to have three distinctive stages.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.6
• /
• pp.1141-1148
• /
• 2008

Geometry optimizations and electronic structure calculations are reported for meso-tetraphenyl porphyrin (TPP) and a series of meso-substituted catecholic porphyrins (KP99150, KP99151, KP99152, KP99153, and KP99090) using density functional theory (DFT). The calculated B3LYP//RHF bond lengths are slightly longer than those of LSDA//RHF. The calculated electronic structures clearly show that TPP and meso-catecholic group contribute to π-electron conjugation along porphyrin ring for HOMO and LUMO, significantly reduced the HOMO-LUMO gap. The wavelength due to B3LYP energy gaps is favored with experimental value in Soret (B), and LSDA energy gaps are favored with experimental value in visible bands (Q). The electronic effect of the catecholic groups is to reduced energies of both the HOMOs and LUMOs. However, the distortion of porphyrin predominantly raises the energies of the HOMOs, so the net result is a large drop in HOMO and smaller drop in LUMO energies upon meso-substituted catecholic group of the porphyrin macrocycle as shown in KP99151 and KP99152 of Figure 5(a). These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

• Journal of the Korean Society for Aeronautical & Space Sciences
• /
• v.32 no.10
• /
• pp.12-19
• /
• 2004

An aerodynamic design optimization system for three-dimensional wing was developed as a part of the future MDO framework. The present design optimization system includes four modules such as geometry design, grid generation, flow solver and optimizer. All modules were based on commercial softwares and programmed to have automated execution capability in batch mode utilizing built-in script and journaling. The integration of all modules into the system was accomplished through programming using Visual Basic language. The distributed computational environment based on network communication was established to save computational time especially for time-consuming aerodynamic analyses. The distributed aerodynamic computations were performed in conjunction with the global optimization algorithm of response surface method, instead of using usual parallel computation based on domain decomposition. The application of the design system in the drag minimization problem demonstrated considerably enhanced efficiency of the design process while the final design showed reasonable results of reduced drag.