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Vibrational Relaxation and Bond Dissociation in Methylpyrazine on Collision with N2 and O2

  • Young-Jin Yu;Sang Kwon Lee;Jongbaik Ree
    • Journal of the Korean Chemical Society
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    • v.67 no.6
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    • pp.407-414
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    • 2023
  • The present study uses quasi-classical trajectory procedures to examine the vibrational relaxation and dissociation of the methyl and ring C-H bonds in excited methylpyrazine (MP) during collision with either N2 or O2. The energy-loss (-ΔE) of the excited MP is calculated as the total vibrational energy (ET) of MP is increased in the range of 5,000 to 40,000cm-1. The results indicate that the collision-induced vibrational relaxation of MP is not large, increasing gradually with increasing ET between 5,000 and 30,000 cm-1, but then decreasing with the further increase in ET. In both N2 and O2 collisions, the vibrational relaxation of MP occurs mainly via the vibration-to-translation (V→T) and vibration-to-vibration (V→V) energy transfer pathways, while the vibration-to-rotation (V→R) energy transfer pathway is negligible. In both collision systems, the V→T transfer shows a similar pattern and amount of energy loss in the ET range of 5,000 to 40,000cm-1, whereas the pattern and amount of energy transfer via the V→V pathway differs significantly between two collision systems. The collision-induced dissociation of the C-Hmethyl or C-Hring bond occurs when highly excited MP (65,000-72,000 cm-1) interacts with the ground-state N2 or O2. Here, the dissociation probability is low (10-4-10-1), but increases exponentially with increasing vibrational excitation. This can be interpreted as the intermolecular interaction below ET = 71,000 cm-1. By contrast, the bond dissociation above ET = 71,000 cm-1 is due to the intramolecular energy flow between the excited C-H bonds. The probability of C-Hmethyl dissociation is higher than that of C-Hring dissociation.

The intrinsic instabilities of fluid flow occured in the melt of Czochralski crystal growth system

  • Yi, Kyung-Woo;Koichi Kakimoto;Minoru Eguchi;Taketoshi Hibiya
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1996.06a
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    • pp.179-200
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    • 1996
  • The intrinsic instabilities of fluid flow occurred in the melt of the Czochralski crystal growth system Czochralski method, asymmetric flow patterns and temperature profiles in the melt have been studied by many researchers. The idea that the non-symmetric structure of the growing equipment is responsible for the asymmetric profiles is usually accepted at the first time. However further researches revealed that some intrinsic instabilities not related to the non-symmetric equipment structure in the melt could also appear. Ristorcelli had pointed out that there are many possible causes of instabilities in the melt. The instabilities appears because of the coupling effects of fluid flow and temperature profiles in the melt. Among the instabilities, the B nard type instabilities with no or low crucible rotation rates are analyzed by the visualizing experiments using X-ray radiography and the 3-D numerical simulation in this study. The velocity profiles in the Silicon melt at different crucible rotation rates were measured using X-ray radiography method using tungsten tracers in the melt. The results showed that there exits two types of fluid flow mode. One is axisymmetric flow, the other is asymmetric flow. In the axisymmetric flow, the trajectory of the tracers show torus pattern. However, more exact measurement of the axisymmetrc case shows that this flow field has small non-axisymmetric components of the velocity. When fluid flow is asymmetric, the tracers show random motion from the fixed view point. On the other hand, when the observer rotates to the same velocity of the crucible, the trajectory of the tracer show a rotating motion, the center of the motion is not same the center of the melt. The temperature of a point in the melt were measured using thermocouples with different rotating rates. Measured temperatures oscillated. Such kind of oscillations are also measured by the other researchers. The behavior of temperature oscillations were quite different between at low rotations and at high rotations. Above experimental results means that the fluid flow and temperature profiles in the melt is not symmetric, and then the mode of the asymmetric is changed when rotation rates are changed. To compare with these experimental results, the fluid flow and temperature profiles at no rotation and 8 rpm of crucible rotation rates on the same size of crucible is calculated using a 3-dimensional numerical simulation. A finite different method is adopted for this simulation. 50×30×30 grids are used. The numerical simulation also showed that the velocity and flow profiles are changed when rotation rates change. Futhermore, the flow patterns and temperature profiles of both cases are not axisymmetric even though axisymmetric boundary conditions are used. Several cells appear at no rotation. The cells are formed by the unstable vertical temperature profiles (upper region is colder than lower part) beneath the free surface of the melt. When the temperature profile is combined with density difference (Rayleigh-B nard instability) or surface tension difference (Marangoni-B nard instability) on temperature, cell structures are naturally formed. Both sources of instabilities are coupled to the cell structures in the melt of the Czochralski process. With high rotation rates, the shape of the fluid field is changed to another type of asymmetric profile. Because of the velocity profile, isothermal lines on the plane vertical to the centerline change to elliptic. When the velocity profiles are plotted at the rotating view point, two vortices appear at the both sides of centerline. These vortices seem to be the main reason of the tracer behavior shown in the asymmetric velocity experiment. This profile is quite similar to the profiles created by the baroclinic instability on the rotating annulus. The temperature profiles obtained from the numerical calculations and Fourier transforms of it are quite similar to the results of the experiment. bove esults intend that at least two types of intrinsic instabilities can occur in the melt of Czochralski growing systems. Because the instabilities cause temperature fluctuations in the melt and near the crystal-melt interface, some defects may be generated by them. When the crucible size becomes large, the intensity of the instabilities should increase. Therefore, to produce large single crystals with good quality, the behavior of the intrinsic instabilities in the melt as well as the effects of the instabilities on the defects in the ingot should be studied. As one of the cause of the defects in the large diameter Silicon single crystal grown by the

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Temporal Variation of Atmospheric Radon-222 and Gaseous Pollutants in Background Area of Korea during 2013-2014

  • Bu, Jun-Oh;Song, Jung-Min;Kim, Won-Hyung;Kang, Chang-Hee;Song, Sang-Keun;Williams, Alastair G.;Chambers, Scott D.
    • Asian Journal of Atmospheric Environment
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    • v.11 no.2
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    • pp.114-121
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    • 2017
  • Real-time monitoring of hourly concentrations of atmospheric Radon-222 ($^{222}Rn$, radon) and some gaseous pollutants ($SO_2$, CO, $O_3$) was performed throughout 2013-2014 at Gosan station of Jeju Island, one of the cleanest regions in Korea, in order to characterize their background levels and temporal variation trend. The hourly mean concentrations of radon and three gaseous pollutants ($SO_2$, CO, $O_3$) over the study period were $2216{\pm}1100mBq/m^3$, $0.6{\pm}0.7ppb$, $211.6{\pm}102.0ppb$, and $43.0{\pm}17.0ppb$, respectively. The seasonal order of radon concentrations was as fall ($2644mBq/m^3$)$${\sim_\sim}$$winter ($2612mBq/m^3$)>spring ($2022mBq/m^3$)>summer ($1666mBq/m^3$). The concentrations of $SO_2$ and CO showed similar patterns with those of radon as high in winter and low in summer, whereas the $O_3$ concentrations had a bit different trend. Based on cluster analyses of air mass back trajectories, the air mass frequencies originating from Chinese continent, North Pacific Ocean, and the Korean Peninsula routes were 30, 18, and 52%, respectively. When the air masses were moved from Chinese continent to Jeju Island, the concentrations of radon and gaseous pollutants ($SO_2$, CO, $O_3$) were relatively high: $2584mBq/m^3$, 0.76 ppb, 225.8 ppb, and 46.4 ppb. On the other hand, when the air masses were moved from North Pacific Ocean, their concentrations were much low as $1282mBq/m^3$, 0.24 ppb, 166.1 ppb, and 32.5 ppb, respectively.

Current structures and Diffusion characteristics in Youngil Bay (영일만의 해수유동 구조 및 확산특성)

  • 이종섭;김차겸
    • 한국해양학회지
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    • v.30 no.5
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    • pp.467-479
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    • 1995
  • To investigate the current structures and diffusion characteristics in Youngil Bay, a systematic field observations of current velocity, drogue tracking, dye diffusion experiment and aerial photographing were performed. The flow patterns in the surface layer of the bay depend more strongly on the wind and ocean current than the tidal current, and the patterns in the middle are predominated by the ocean current. The residual currents in the surface generally flow toward the inner bay through the western and central areas of the bay, and then the currents go toward the ocean along the eastern shore of the bay with anti-clock-wise circulation. The residual currents in the surface of the eastern cease are not nearly influenced by the wind, and the currents always move northward to northeastward. However, the currents in the western shore depend strongly on the wind and the outflow of the Huntsman River, that is, the residual currents go northward to northeastward when the southerly to westerly winds blow or a large amount of flow from the river discharge. The residual currents in the middle layer flow toward the inner bay along the western shore of the bay, and the incomed currents go out to the ocean along the eastern shore with anticlockwise circulation. The diffusion of dye patch by the instantaneous point source shows a similar pattern to the drogue trajectory, and the apparent diffusion coefficients of the dye patch by Fick's theory is 1.14${\times}$10$^4$ cm$^2$/s. The behavior of the river discharges in flood shows a band type's effluent pattern toward the outer bay along the western coast.

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Potential Source of PM10, PM2.5, and OC and EC in Seoul During Spring 2016 (2016년 봄철 서울의 PM10, PM2.5 및 OC와 EC 배출원 기여도 추정)

  • Ham, Jeeyoung;Lee, Hae Jung;Cha, Joo Wan;Ryoo, Sang-Boom
    • Atmosphere
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    • v.27 no.1
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    • pp.41-54
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    • 2017
  • Organic carbon (OC) and elemental carbon (EC) in $PM_{2.5}$ were measured using Sunset OC/EC Field Analyzer at Seoul Hwangsa Monitoring Center from March to April, 2016. The mean concentrations of OC and EC during the entire period were $4.4{\pm}2.0{\mu}gC\;m^{-3}$ and $1.4{\pm}0.6{\mu}gC\;m^{-3}$, respectively. OC/EC ratio was $3.4{\pm}1.0$. The average concentrations of $PM_{10}$ and $PM_{2.5}$ were $57.4{\pm}25.9$ and $39.7{\pm}19.8{\mu}g\;m^{-3}$, respectively, which were detected by an optical particle counter. The OC and EC peaks were observed in the morning, which were impacted by vehicle emission, however, their diurnal variations were not noticeable. This is determined to be contributed by the long-range transported OC or secondary formation via photochemical reaction by volatile organic compounds at afternoon. A conditional probability function (CPF) model was used to identify the local source of pollution. High concentrations of $PM_{10}$ and $PM_{2.5}$ were observed from the westerly wind, regardless of wind speed. When wind velocity was high, a mixing plume of dust and pollution during long-range transport from China in spring was observed. In contrast, pollution in low wind velocity was from local source, regardless of direction. To know the effect of long-range transport on pollution, a concentration weighted trajectory (CWT) model was analyzed based on a potential source contribution function (PSCF) model in which 75 percentiles high concentration was picked out for CWT analysis. $PM_{10}$, $PM_{2.5}$, OC, and EC were dominantly contributed from China in spring, and EC results were similar in both PSCF and CWT. In conclusion, Seoul air quality in spring was mainly affected by a mixture of local pollution and anthropogenic pollutants originated in China than the Asian dust.

Analysis of Vertical Profiles and Optical Characteristics of the Asian Dust Using Ground-based Measurements (지상관측장비를 이용하여 관측한 봄철 황사의 연직분포와 광학적 특성 분석)

  • Lee, Byung-Il;Yoon, Soon-Chang;Kim, Yoonjae
    • Atmosphere
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    • v.18 no.4
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    • pp.287-297
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    • 2008
  • The vertical profiles and optical properties of Asian dust are investigated using ground-based measurements from 1998 to 2002. Vertical profiles of aerosol extinction coefficient are evaluated using MPL (Micro Pulse Lidar) data. Optical parameters such as aerosol optical thickness ($\tau$), ${\AA}ngstr\ddot{o}m$ exponent ($\alpha$), single scattering albedo ($\omega$), refractive index, and volume size distribution are analyzed with sun/sky radiometer data for the same period. We can separate aerosol vertical profiles into three categories. First category named as 'Asian dust case', which aerosol extinction coefficient is larger than $0.15km^{-1}$ and dust layer exists from surface up to 3-4km. Second category named as 'Elevated aerosol case', which aerosol layer exists between 2 and 6km with 1-2.5km thickness, and extinction coefficient is smaller than $0.15km^{-1}$. Third category named as 'Clear sky case', which aerosol extinction coefficient appears smaller than $0.15km^{-1}$. and shows that diurnal variation of background aerosol in urban area. While optical parameters for first category indicate that $\tau$ and $\alpha$ are $0.63{\pm}0.14$, $0.48{\pm}0.19$, respectively. Also, aerosol volume concentration is increased for range of 1 and $4{\mu}m$, in coarse mode. Optical parameters for second category can be separated into two different types. Optical properties of first type are very close to Asian dust cases. Also, dust reports of source region and backward trajectory analyses assure that these type is much related with Asian dust event. However, optical properties of the other type are similar to those of urban aerosol. For clear sky case, $\tau$ is relatively smaller and $\alpha$ is larger compare with other cases. Each case shows distinct characteristics in aerosol optical parameters.

Measurements of Storm Waves Generated by Typhoons Passed through Eastside of Korea Strait from 2004 to 2006 (2004~2006년 대한해협 동쪽을 통과한 태풍들에 의한 폭풍파 관측)

  • Jeong, Weon Mu;Kim, Sang Ik;Baek, Won Dae;Oh, Sang-Ho
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.26 no.2
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    • pp.65-71
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    • 2014
  • In recent years, strong typhoons have passed South Korea almost every year and severe damages were incurred directly and indirectly. However, instances where wave and wind data were procured from the offshore approach path of the typhoon are very rare and thus researchers are experiencing difficulties in obtaining calibration and verification data of typhoon-generated wave modeling. This paper provides a synthesis of records of observations by the Korea Meteorological Administration and Korea Institute of Ocean Science and Technology on storm waves generated by the typhoons SONGDA, NABI, and SHANSHAN that passed from 2004 to 2006 in order to help researchers interested in typhoon-generated wave numerical modeling. Although the trajectories of typhoon NABI and SHANSHAN were east of the Korea Strait, a significant wave height of 8.3 m was measured at Namhyeongjedo located east of Geojedo. Moreover, an unprecedented significant wave height of 12.2 m was measured for both typhoons at a station 1.4 km away from Yeongil Bay breakwater. Meanwhile, a comparative analysis of data obtained with a ocean data buoy at Geojedo and a Directional Waverider at Namhyeongjedo showed maximum wave heights that were similar but considerably different significant wave heights.

Assessing the Real-time Positioning Accuracy of Low-cost GPS Receiver using NTRIP-based Augmentation Service (Ntrip 기반 보정서비스를 활용한 저가 GPS 수신기의 실시간 측위 정확도 평가)

  • Lee, Yong Chang
    • Journal of Korean Society for Geospatial Information Science
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    • v.23 no.3
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    • pp.31-39
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    • 2015
  • This paper presents the static and kinematic positioning accuracy by the real-time GPS positioning modes of the low-cost GPS receivers using NTRIP-based augmentation service. For this, acquires both the raw measurements data of the field tests by LEA 6T GPS module of u-blox AG, and correction communication via NTRIP caster with RTKLIB as an open source program for GNSS solution. With computing the positions of the check points and road tracks by six kinds of GPS positioning modes which are Single, SBAS, DGPS, PPP, RTK, and TCP/IP_RTK, compared these results to the reference position of the check points. The position error average and rmse of the static test by GPS L1 RTK surveying showed $N=0.002m{\pm}0.001m$, $E=0.004m{\pm}0.001m$ in horizontal plane, and $h=-0.116m{\pm}0.003m$ in vertical, these results are very closed to the coordinates with the geodetic receiver. Especially, in case of the kinematic test with obstacles located on both sides of road, the computed track with ambiguity fixing showed very similar trajectory considerably from VRS network RTK mode. And also, evaluate and verify the performance of the TCP/IP_RTK mode developed based on TCP/IP protocol.

Development of Signal Processing Modules for Double-sided Silicon Strip Detector of Gamma Vertex Imaging for Proton Beam Dose Verification (양성자 빔 선량 분포 검증을 위한 감마 꼭지점 영상 장치의 양면 실리콘 스트립 검출기 신호처리 모듈 개발)

  • Lee, Han Rim;Park, Jong Hoon;Kim, Jae Hyeon;Jung, Won Gyun;Kim, Chan Hyeong
    • Journal of Radiation Protection and Research
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    • v.39 no.2
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    • pp.81-88
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    • 2014
  • Recently, a new imaging method, gamma vertex imaging (GVI), was proposed for the verification of in-vivo proton dose distribution. In GVI, the vertices of prompt gammas generated by proton induced nuclear interaction were determined by tracking the Compton-recoiled electrons. The GVI system is composed of a beryllium electron converter for converting gamma to electron, two double-sided silicon strip detectors (DSSDs) for the electron tracking, and a scintillation detector for the energy determination of the electron. In the present study, the modules of a charge sensitive preamplifier (CSP) and a shaping amplifier for the analog signal processing of DSSD were developed and the performances were evaluated by comparing the energy resolutions with those of the commercial products. Based on the results, it was confirmed that the energy resolution of the developed CSP module was a little lower than that of the CR-113 (Cremat, Inc., MA), and the resolution of the shaping amplifier was similar to that of the CR-200 (Cremat, Inc., MA). The value of $V_{rms}$ representing the magnitude of noise of the developed system was estimated as 6.48 keV and it was confirmed that the trajectory of the electron can be measured by the developed system considering the minimum energy deposition ( > ~51 keV) of Compton-recoiled electron in 145-${\mu}m$-thick DSSD.

Analysis of Spatial Trip Regularity using Trajectory Data in Urban Areas (도시부 경로자료를 이용한 통행의 공간적 규칙성 분석)

  • Lee, Su jin;Jang, Ki tae
    • The Journal of The Korea Institute of Intelligent Transport Systems
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    • v.17 no.6
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    • pp.96-110
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    • 2018
  • As the development of ICT has made it easier to collect various traffic information, research on creating new traffic attributes is drawing attention. Estimation and forecasts of demand and traffic volume are one of the main indicators that are essential to traffic operation, assuming that the traffic pattern at a particular node or link is repeated. Traditionally, a survey method was used to demonstrate this similarity on trip behavior. However, the method was limited to achieving high accuracy with high costs and responses that relied on the respondents' memory. Recently, as traffic data has become easier to gather through ETC system, smart card, studies are performed to identify the regularity of trip in various ways. In, this study, route-level trip data collected in Daegu metropolitan city were analyzed to confirm that individual traveler forms a spatially similar trip chain over several days. For this purpose, we newly define the concept of spatial trip regularity and assess the spatial difference between daily trip chains using the sequence alignment algorithm, Dynamic Time Warping. In addition, we will discuss the applications as the indicators of fixed traffic demand and transportation services.