• Bulletin of the Korean Chemical Society
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• 제17권8호
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• pp.735-744
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• 1996

We present results of molecular dynamic (MD) simulations for the thermodynamic and structural properties of liquid n-alkanes, from n-butane to n-heptadecane, using three different models Ⅰ-Ⅲ. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. Model Ⅰ is the original Ryckaert and Bellemans' collapsed atomic model [Discuss. Faraday Soc. 1978, 66, 95] and model Ⅱ is the expanded collapsed model which includes C-C bond stretching and C-C-C bond angle bending potentials in addition to Lennard-Jones and torsional potentials of model Ⅰ. In model Ⅲ all the carbon and hydrogen atoms in the monomeric units are represented explicitly for the alkane molecules. Excellent agreement of the results of our MD simulations of model Ⅰ for n-butane with those of Edberg et al.[J. Chem. Phys. 1986, 84, 6933], who used a different algorithm confirms the validity of our algorithms for MD simulations of model Ⅱ for 14 liquid n-alkanes and of models Ⅰ and Ⅲ for liquid n-butane, n-decane, and n-heptadecane. The thermodynamic and structural properties of models Ⅰ and Ⅱ are very similar to each other and the thermodynamic properties of model Ⅲ for the three n-alkanes are not much different from those of models Ⅰ and Ⅱ. However, the structural properties of model Ⅲ are very different from those of models Ⅰ and Ⅱ as observed by comparing the radial distribution functions, the average end-to-end distances and the root-mean-squared radii of gyrations.

• Bulletin of the Korean Chemical Society
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• 제19권4호
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• pp.422-428
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• 1998

In the present paper, we report a molecular dynamics (MD) simulation of non-rigid zeolite-A framework only as the base case for a consistent study of the role of intraframework interaction on several zeolite-A systems using the same technique in our previous studies of rigid zeolite-A frameworks. Usual bond stretching, bond angle bending, torsional rotational, and non-bonded Lennard-Jones and electrostatic interactions are considered as intraframework interaction potentials. The comparison of experimental and calculated structural parameters confirms the validity of our MD simulation for zeolite-A framework. The radial distribution functions of non-rigid zeolite-A framework atoms characterize the vibrational motion of the framework atoms. Mean square displacements are all periodic with a short period of 0.08 ps and a slow change in the amplitude of the vibration with a long period of 0.53 ps. The displacement auto-correlation (DAC) and neighbor-correlation (DNC) functions describe the up-and-down motion of the framework atoms from the center of α-cage and the back-and-forth motion on each ring window from the center of each window. The DAC and DNC functions of the framework atoms from the center of α-cage at the 8-ring windows have the same period of the up-and-down motion, but those functions from the center of 8-ring window at the 8-ring windows are of different periods of the back-and-forth motion.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년 영문 학술대회
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• pp.823-827
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• 2008

The effects of blade leading edge sweep on both the aerodynamic performance and the structure stress of a high pressure centrifugal compressor impeller are numerically investigated. Changes in the flow structure occur as a result of the effect of leading edge sweep on the loading distribution in the tip region. The flow separation is avoided by introducing a sweep of the main blade leading edge and the strength of shock is reduced at the same time. Backswept of the leading edge is found to be beneficial to the impeller performance improving. On the other hand, the structural analysis indicated that high rotating speed of the impeller will cause substantial high bending stresses and radial deflections of the blade. Studies have shown that it is possible to control the stress distribution along the tip and root of the blade by slight adjustments to the sweep angle of the leading edge. These adjustments may be used to design the impeller with lower blade root stress distribution without aerodynamics performance penalty.

• 설비공학논문집
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• 제13권2호
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• pp.134-143
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• 2001

This paper presents the characteristics of flank and tip seal leakage in a scroll compressor for air-conditioners with R-22 under actual operating conditions. It is well known that the leakage has significant effect on the performance of the scroll compressor. Experiments were performed by using indirect method for measuring mass flow rate passing through flank and tip seal under actual operating conditions, In addition, an analytical model for tip seal leakage was developed to investigate tangential and radial leakage observed at grooves and contact points of tip seals. For low oil concentration, theoretical results were compared with experimental data to verify the analytical model. As a result, leakages through flank and tip seal parts were evaluated as afunction of pressure ratio, orbiting angle, discharge pressure, tip clearance, and leakage point. It was also found that the tip seal leakage was considerable even though the tip seal provided adequate sealing effect.

• Structural Engineering and Mechanics
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• 제71권5호
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• pp.525-544
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• 2019

In the present study, buckling and free vibration analyses of annular thin sector plate made of functionally graded materials (FGMs) resting on visco-elastic Pasternak foundation, subjected to external radial, circumferential and shear in-plane loads is investigated. Material properties are assumed to vary along the thickness according to an power law with Poisson's ratio held constant. First, based on the classical plate theory (CPT), the governing equation of motion is derived using Hamilton's principle and then is solved using the generalized differential quadrature method (GDQM). Numerical results are compared to those available in the literature to validate the convergence and accuracy of the present approach. Finally, the effects of power-law exponent, ratio of radii, thickness of the plate, sector angle, and coefficients of foundation on the fundamental and higher natural frequencies of transverse vibration and critical buckling loads are considered for various boundary conditions. Also, vibration and buckling mode shapes of functionally graded (FG) sector plate have been shown in this research. One of the important obtained results from this work show that ratio of the frequency of FG annular sector plate to the corresponding values of homogeneous plate are independent from boundary conditions and frequency number.

• Advances in aircraft and spacecraft science
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• 제10권1호
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• pp.19-49
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• 2023

The present study proposes a theoretical and numerical investigation on the dynamic response behaviour of a functional graded (FG) ceramic-metal tapered rotor shaft system, by the differential quadrature finite elements method (DQFEM) to identify the natural frequencies for modelling and analysis of the structure with suitable validations. The purpose of this paper is to explore the influence of heat gradients on the natural frequency of rotation of FG shafts via three-dimensional solid elements, as well as a theoretical examination using the Timoshenko beam mode, which took into account the gyroscopic effect and rotational inertia. The functionally graded material's distribution is described by two distribution laws: the power law and the exponential law. To simulate varied thermal conditions, radial temperature distributions are obtained using the nonlinear temperature distribution (NLTD) and exponential temperature distribution (ETD) approaches. This work deals with the results of the effect on the fundamental frequencies of different material's laws gradation and temperature gradients distributions. Attempts are conducted to identify adequate explanations for the behaviours based on material characteristics. The effect of taper angle and material distribution on the dynamic behaviour of the FG conical rotor system is discussed.

• Tribology and Lubricants
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• 제39권2호
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• pp.35-42
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• 2023

Bearing is a mechanical component that supports loads and transmits rotation. As the application of high-value-added products such as semiconductors, aviation, and robots have recently become diverse and more precise, an accurate bearing performance prediction and evaluation technology is required. Bearing performance evaluation can be divided into evaluations based on bearing theory and on numerical analysis. An evaluation based on numerical analysis is a technique that has been highlighted because the problems that remained unsolved owing to time problems can be solved through recent developments in computers. However, current studies have the disadvantage of not considering the essential changes over time and bearing rotation. In this study, bearing performance evaluation based on rigid body dynamic analysis considering rotation and load over time is performed. Rigid body dynamic analysis is performed for deep groove ball bearing to calculate the load applied by the ball. The reliability of the analysis is verified by comparing it with the results calculated using bearing theory. In addition, rigid body dynamic analysis is performed for automotive wheel bearings to calculate the contact angle and load applied by the ball for cases where axial load and radial load are applied, respectively. The effect of rotation and load over time is evaluated from these results.

• 한국분무공학회지
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• 제27권1호
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• pp.1-10
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• 2022

In this study, an experimental investigation on the effects of the pressure ratio on the wall-impingement spray characteristics of nitrogen gas using a compressed natural gas (CNG) injector was conducted. The transient development of the impingement spray was recorded by a high speed camera with Z-type Schlieren visualization method. The spray behavior under various pressure ratio conditions were analyzed. The experimental results showed that the pressure ratio has positive effect on the development of spray wall-impingement. The effects of the above factor were evaluated in a constant volume chamber at atmospheric conditions. The data from test showed that, with the increase of the pressure ratio, the spray tip penetration (STP) quickly increases before the impingement and gradually increases after the impingement. Additionally, the spray velocity first increases and then sharply decreases on regardless of the injection pressure level. As the spray spreading angle increases, spray area and volume increases rapidly with the increase in STP at the beginning of injection, and finally entered a stable range, has a great correlation with the increase of pressure ratios.

• 한국분무공학회지
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• 제28권2호
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• pp.75-88
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• 2023

In this paper, the atomization characteristics of bi-swirl coaxial injectors for a 420 N-class bipropellant thruster were investigated. Three types of injectors, namely closed-type, open-type, and screw-type, were manufactured and designed to have the same spray angle and injection pressure drop. Water was used as a simulant, and cold-flow tests were conducted under ambient temperature and pressure conditions. Since the inner and outer injectors were designed to be the same type, only the inner fuel injectors that were easy to measure were used. Using a phase doppler particle analyzer, the velocity and diameter of atomized droplets were measured. Closed-type swirl injector exhibited droplet distributions with relatively high velocities and small SMD compared to the other two injectors. Open-type swirl injector formed droplets with reverse velocities in the center region and had a large recirculation zone. Screw-type swirl injector showed a sharp decrease in droplet velocity and size with radial distance from the liquid film breakup point. For the same design requirements, the closed-type swirl injector has superior atomization performance.

• 한국분무공학회지
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• 제28권2호
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• pp.97-104
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• 2023

A sprinkler is a fire suppression system that extinguishes combustible materials in the early stages of a fire, creating a spray. However, spray formation method of the sprinkler can result in an uneven distribution of water spray on the surface of combustible materials. It is necessary to ensure a consistent water flux density regardless of the spray direction and angle. In this study, the water flux distribution was analyzed for the various types of sprinkler head: circular, flush, pendent, and upright types. All sprinkler heads have a K-factor of 80 LPM/(0.1MPa)^0.5. In this study, water collection cubes were used to examine the water flux distribution. The upright type sprinkler head showed a low standard deviation in total sprayed area, indicating a high level of uniformity. The upright type head showed the lowest standard deviation in the radial direction, and also showed the lowest standard deviation in the azimuthal direction. Upright sprinkler head has no obstructing structure along the path of droplets after they are generated. For this reason, upright sprinkler head showed the most uniform water flux distribution on the floor.