• Bulletin of the Korean Chemical Society
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• 제20권11호
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• pp.1288-1294
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• 1999

We show that Shaw's optimized nonlocal model potential (OMP) in combination with the perturbative hyper-netted-chain equation for pair correlation functions can be successfully applied to predict pair structures of compressed and expanded liquid rubidium. For compressed rubidium, it is possible to apply the OMP to a state for which the model radius is even close to the Wigner-Seitz radius. In addition, our results are parallel to those from Chihara and Kahl's quantal hypernetted-chain equation in that it supports the uniform compression model up to 6.1 GPa. Calculation also shows that the pair structure is relatively insensitive to the choice of the exchange-correlation function for the electron liquid. Discussions are also given for compressed and expanded cesium.

• 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.

• Korean Chemical Engineering Research
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• 제40권6호
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• pp.715-718
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• 2002

폴리에스터의 염색공정에서 발생하는 폐수문제를 근원적으로 해결하기 위해서 초임계 유체를 이용한 건식염색기술이 관심의 대상이 되고 있다. 본 연구에서는 반 유통형인 초임계유체 평형실험장치를 이용하여 초임계 상태의 HFC-134a에 대한 분산염료인 C. I. disperse red 60의 용해도를 382.2 K와 413.2 K의 온도와 50, 70, 100, 130, 160 bar의 압력에서 측정하였다. 초임계유체를 고압의 액체로 간주하는 확장액체모델에 측정된 데이터들을 상관하면 실험값과 계산값이 잘 일치하였다.

• Bulletin of the Korean Chemical Society
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• 제20권8호
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• pp.897-904
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• 1999

We have presented the thermodynamic, structural and dynamic properties of liquid pentane isomers - normal pentane, isopentane, and neopentane - using an expanded collapsed atomic model. The thermodynamic properties show that the intermolecular interactions become weaker as the molecular shape becomes more nearly spherical and the surface area decreases with branching. The structural properties are well predicted from the site-site radial, the average end-to-end distance, and the root-mean-squared radius of gyration distribution func-tions. The dynamic properties are obtained from the time correlation functions - the mean square displacement (MSD), the velocity auto-correlation (VAC), the cosine (CAC), the stress (SAC), the pressure (PAC), and the heat flux auto-correlation (HFAC) functions - of liquid pentane isomers. Two self-diffusion coefficients of liquid pentane isomers calculated from the MSD's via the Einstein equation and the VAC's via the Green-Kubo relation show the same trend but do not coincide with the branching effect on self-diffusion. The rotational re-laxation time of liquid pentane isomers obtained from the CAC's decreases monotonously as branching increases. Two kinds of viscosities of liquid pentane isomers calculated from the SAC and PAC functions via the Green-Kubo relation have the same trend compared with the experimental results. The thermal conductivity calculated from the HFAC increases as branching increases.

• 한국의류학회지
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• 제18권4호
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• pp.524-535
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• 1994

The interaction and detergency between oily soil and surfactant solution were studied Samples used were tristearin, tripalmitin and their mixture as a triglyceride, myristic acid as a fatty acid and sodium dodecyl sulfate (SDS) as surfactant. The results were as follows: 1. The mixtures of model oily soils were formed of eutectic point and their melting point were lower than them of individual oily soils. 2. The formation of liquid crystalline (LC) phase was recognized in the triangle phase diagram for SDS~ water~model oily soil system. The areas of LC phase region were in the order of SHS~ water~myristir acid> SDS~ water~mixture of tristearin, tripalmitin and myristic acid (TS/TP/M)>SDS~water~mixture of tristearin and tripalmitin (TS/TP) 3. The LC phase region expanded to wide concentration range of SDS solution and high concentration range of model oily soil with increasing temperature. Particularity, the LC phase region expanded highly at $30~40^{\circ}C$ but when the temperature was elevated above $40^{\circ}C$, expanding tendency decreased. 4. In the system of myristic acid and TS/TP/M contacted with SDS solution, the LC phase was already formed at $28^{\circ}C$ and the region of the LC phase were expanded with increasing temperature. But in the system of TS/TP contacted with SDS solution, the LC phase was not formed in whole experiment temperature. 5. The detergency of myristic acid was very high ann it was recognized that the formation of the LC phase played an important role in the detergency. The detergency of TS/TP was very for low, but when TS/TF was mixed with myristic acid, the detergency of TS/TP increased. It is supposed that the LC phase was formed butween SDS solution and myristic acid promoted to penetration of SDS solution into the inner parts of TS/TP.

• Korea-Australia Rheology Journal
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• 제16권1호
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• pp.27-33
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• 2004

Application of gas assisted injection molding has been expanded during last two decades because of many advantages such as design flexibility, dimensional stability, reduction of machine tonnages, and so on. However, the surface defects including hesitation mark and gloss difference are observed for thick parts. Difficulties in lay-out of the gas channel and processing condition are another disadvantages. Liquid gas assisted injection molding(LGAIM), in which a liquid with a boiling point lower than the temperature of the polymer melt is injected into the melt stream, and travels with the melt into the mold where it vaporizes and pushes the melt downstream and against the cavity walls to create hollow channels within the part, is a good alternative of the conventional gas assisted injection molding especially in manufacturing simple and very thick parts. Though this is a new frontier of the innovation in the injection molding industry, there is no guideline for the design and processing conditions. In this paper, theoretical analysis has been made to describe the hollow formation dynamics in LGAIM. This model provides an insight into LGAIM process: explains why LGAIM has advantages over conventional gas assisted injection molding, and gives a guideline for the design and processing conditions.

• 한국항만경제학회지
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• 제36권4호
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• pp.1-16
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• 2020

우리나라는 항만 인프라가 뛰어나며, 석유화학단지를 보유하고 있기 때문에 동북아 오일 허브의 가능성이 충분하다. 특히 부가가치가 높은 STS(해상환적작업)는 국가 경제에 크게 기여하고 있다. 본 연구에서는 화학공업생산품, 석유정제품, 그리고 원유를 전국, 부산, 울산, 그리고 여수/광양 물동량으로 분류하였다. 그리고 이들 간의 수입, 수출 및 환적의 그랜저 인과관계를 살펴보았다. 단위근 검정을 위하여 ADF, PP, KPSS를 적용하였다. 또한 VAR모형과 Toda and Yamamoto의 확장된 VAR모형을 활용하여 분석을 실시하였다. 그 결과 각 지역에 따라 그랜저 인과관계 유무에 차이가 있는 것을 발견하였다. 또한 컨테이너와 비컨테이너로 구분해서 분석한 결과 화물 종류에 따른 차이가 나타났다. 따라서 항만에 대한 정부의 정책이나 인센티브제도와 같은 지원은 획일화 보다는 지역, 화물의 종류, 화물의 운송 형태 등에 따라 차별화가 요구된다.

• 한국추진공학회지
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• 제7권1호
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• pp.57-65
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• 2003

본 연구에서는 압축수가 노즐을 통해 급격히 팽창될 때 기액이상류가 플래싱 증발하게 되는 이상류의 임계유동을 Isentropic-Homogeneous-Equilibrium model과 Leung model을 사용해 해석하였다. 그 결과 이상유동은 연속/불연속적 초크로 될 수 있으며, 정체점의 압력이 10Mpa일 경우에는 단상류 유동의 초크현상과 유사한 연속적인 초크현상이 정체점의 아냉각도가 10K이하일 경우에만 발생한다는 것을 알았다.

• 한국분무공학회지
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• 제24권3호
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• pp.105-113
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• 2019

In this paper, a study of Urea-SCR System for Dosing Injector for responding to enhanced environmental regulations has been conducted. There is a limit to the experimental approach due to the structural characteristics of the injector. In order to overcome this problem, The analysis was performed assuming unsteady turbulent flow through computational fluid analysis and the internal flow characteristics of the injector were analyzed. By changing the nozzle shape of the injector, the performance factors of the swirl injector by shape were selected and compared. The design parameters were modified by changing the diameter of the nozzle at a constant ratio compared to the base model. Swirl coefficient, outlet mass flow, and sac volume were selected as performance parameters of the injector. The Conv. model to which the taper was applied showed the dominance in mass flow rate, discharge coefficient and swirl because of the smooth fluid flow by shape. Swirl coefficient, outlet mass flow, and sac volume were selected as performance parameters of the injector. As a result of the comparison coefficient derivation with those performance parameters for comparing the performance of the model-specific injector, the Conv-140 model with the nozzle diameter expanded by 140% showed the best value of the comparison coefficient.

• 한국대기환경학회지
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• 제19권6호
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• pp.733-743
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• 2003

The flow field in multiple fluid sphere systems was studied analytically. The expanded zero vorticity cell model based on Kuwabara's theory (1959) was applied and the effects of gas slippage at the collecting surface were considered. Also, the solid sphere system was extended to fluid sphere including the effects of the induced internal circulation inside the liquid droplet spheres or gas bubble systems. As a result, the obtained analytic solution was converged to the existing solutions for flow field around solid and bubble sphere systems with proper boundary conditions. Based on the resolved flow field, the terminal velocity around the collecting fluid spheres was obtained. Subsequently, this study evaluated the most general solution for flow field around the multiple fluid sphere systems. The obtained flow field in multiple fluid sphere could be used as a fundamental consideration of wet scrubber design and devices for removing particles by fluid-fluid interactions.