• Journal of Korean Society of Environmental Engineers
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• v.39 no.7
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• pp.426-439
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• 2017

This review summarizes advantage and limitation in infrared spectroscopy and computational chemistry to understand rhizospheric interaction among organic acids, oxyanions and metal oxides. Since organic acids and metal oxides determine dynamics of oxyanions in the soil environment, knowledge of fundamental mechanisms is a prerequisite for understanding the interactions at soil-water interface. Attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR) is a powerful tool to measure the interfacial reactions. However, the ATR-FTIR measurements are abstruse, because the optical characteristics for measurements are variable depending on the experimental setup. In addition, spectral overlapping is a primary obstacle to the analysis of the interfacial reaction; thus, it is essential to detect and to deconvolute bands for signal interpretation. In this review, we expained the fundamental principle for spectrum processing, and four band identification methods, such as derivative spectroscopy, two-dimension correlation spectroscopy, multivariate curve resolution, and computational chemistry with example of aqueous phosphate speciation. As a result, spectrum processing and computational chemistry improved interpretation and spectral deconvolution of overlapped spectra in relatively simple systems, but it was still unsatisfactory for the problems in more complexed system like nature. Nevertheless, we believed that our challenge would contribute practically to develop adequate analytical procedure, signal processing and protocols that could help to improve interpretation and to understand the interfacial interactions of oxyanions in natural systems.

• Applied Chemistry for Engineering
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• v.23 no.1
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• pp.35-41
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• 2012

This paper proposes a new methodology for the real-time on-line quality monitoring of biofuel processes through the integration of infrared spectroscopy and chemometrics. A method of Partial Least Squares (PLS) in Chemometrics is employed for quantitative analysis of key components in bioethanol products. After a number of preprocessing methods and variable importance in projection (VIP) are used, Savitzky-Golay method showed the best performance in terms of spectrum correction, noise reduction, and model maintenance. The proposed method allows us to economically forecast the concentration of multiple impurities encountered with the production of bioethanol. The proposed system is also accurate enough ($R^2$ > 0.99) to replace the laboratory analysis.

• Journal of the Mineralogical Society of Korea
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• v.22 no.4
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• pp.385-393
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• 2009

The spectroscopic characteristics of Madagascar tourmaline were investigated by UV-Vis and FTIR spectroscopy. Physical features were similar to other region's tourmalines. The green and blue samples showed strong absorption band in the 714~743 nm due to $Fe^{3+}$, pink samples showed strong absorption band in the 510~530 nm due to $Mn^{3+}$, brown samples showed strong absorption at 324 nm due to $Mn^{2+}-Ti^{4+}$ IVCT and the colorless samples only revealed weak absorption at 406~413 nm or no absorptions due to low quantity of Mn. Combination of the stretching and bending mode cationic hydroxyl units (metal-OH) are observed in the 4300~4500 $cm^{-1}$. The parallel tube-shaped inclusions which contain hematite were detected generally. This investigation revealed that Cu was not detected but Fe and Mn were detected in the Madagascar tourmalines, and the various colors appear according to the amount of those impurity elements.

• Analytical Science and Technology
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• v.25 no.4
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• pp.214-222
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• 2012

ASTM (American Society for Testing and Materials) D6751-10 suggests analytical methods as well as specifications for biodiesel quality. However, it is expensive and time-consuming to follow the ASTM testing methods to analyze biodiesel and various impurities. This paper develops a quantitative analysis system for biodiesel and impurities based on Infrared spectroscopy and a multivariate statistical method, PLS (partial least squares). In addition, four different pre-processing techniques were compared for spectrum correction and noise reduction. Savitzky-Golay pre-processing showed the best performance.

• Bulletin of the Korean Space Science Society
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• 2003.10a
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• pp.94-94
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• 2003

위성체의 유기오염은 광학계 렌즈 등의 오염 민감 표면에 분자단위로 흡착되어 표면에 층을 이루며 존재하는 것으로 위성의 성능저하 및 임무실패를 야기할 수 있는 주요원인이 된다. 유기오염은 단순히 대기에 노출되는 것만으로도 발생할 수 있으며, 특히 고온 고진공 상태에서는 다른 표면들에서 outgassing된 물질들이 흡착될 수 있기 때문에 그 영향이 극대화 된다. 본 연구에서는 이러한 유기오염을 측정하기 위하여 청정실과 열진공챔버 내에 witness plate를 설치하고 이를 적외선분광장비로 분석하였다. 적외선 분광장비를 이용하여 ESA(European Space Agency) 문서를 기준으로 4가지 물질에 대하여 검교정을 수행하였고, 그 결과를 바탕으로 유기오염물을 정량분석 하였다. 또한 유기오염물질의 분별을 통해 보다 정확한 분석을 수행하기 위하여 GC-MS(Gas Chromatograph - Mass Spectrometer)를 사용하여 분석을 시도하였으며, 이를 국제 기준에 적용하기 위한 방안도 모색하였다.

• Polymer Science and Technology
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• v.24 no.6
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• pp.612-617
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• 2013

• The Bulletin of The Korean Astronomical Society
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• v.35 no.1
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• pp.89.2-89.2
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• 2010

우리는 목성의 emission과 absorption 스펙트럼에 영향을 미치는 인자를 알아보고 목성의 대기구조를 연구하기 위하여 2006년 4월 18일부터 8월22일 사이 중 7일간 United Kingdom Infrared Telescope(UKIRT)의 고분산분광기 CGS4(R=37,000)를 이용하여 관측한 목성의 $2.86-3.53{\mu}m$ 분광관측 자료를 분석하였다. 관측자료의 분석에는 $CH_4,\;CH_3D,\;NH_3,\;C_2H_2,\;C_2H_6,\;PH_3$, HCN의 분광선 뿐만 아니라 구름과 Haze의 영향도 포함하는 대기모델을 사용하였다. 대부분의 관측된 분광선은 모델링을 통하여 얻은 synthetic spectrum과 일치하였으나 3.00 에서 $3.10{\mu}m$사이에서 일치하지 않는 다섯 개의 미확인 분광선을 발견하였다. 이들은 각각 $3.003{\mu}m$ 근처와 3.0505, 3.0735, $3.0865{\mu}m$ 그리고 $3.0935{\mu}m$에서 나타나며, 미확인 분광선들이 Seo et al.(2007)이 언급한 태양의 적외선 흡수선에 의해서 나타나는 분광선이 아님을 보였다. 우리는 이 미확인 분광선들을 설명할 수 있는 가능한 분자들을 제시 하고자 한다.

• Proceedings of the KSRS Conference
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• 2008.03a
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• pp.14-19
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• 2008

소나무 재선충에 감염되어 고사하는 소나무의 증가는 우리나라 산림에 심각한 위협이 되고 있다. 재선충은 매개 후 고사단계에 이르기까지 진행과 확산이 빨라 감염목이 발견되면 곧바로 임내에서 벌채 및 훈증 처리해야 하며 5${\sim}$6월에 감염되어 10${\sim}$11월에 육안으로 고사를 확인할 수 있다. 재선충에 의해 소나무가 고사되는 과정에서 식생활력도가 크게 감소하며 이러한 현상은 근적외선 영역에서 분광반사의 감소를 수반한다. 따라서 본 연구는 근적외선영역의 분광감소를 이용하여 재선충 피해목의 조기진단이 가능할 수 있다는 것에 착안하여 수행하였다. 근적외선영상 취득 방법으로 휴대가 간편한 근적외선 카메라를 이용하여 재선충 피해지역의 소나무림을 5월부터 11월까지 매월 촬영하였다. 이렇게 수집된 분광반사값으로부터 식생지수(Vegetation Index: VI)의 변화를 분석하였고, VI의 감소율로부터 소나무 재선충 감염목을 조기에 발견할 수 있다는 결과를 도출하였다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.27 no.3
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• pp.398-405
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• 2003

A fast response analyzer for measuring carbon dioxide concentration has been developed for transient characteristic and researches tested on internal combustion engine. The analyzer uses the well known NDIR(Non-Dispersive Infrared) method with miniaturized detection system, giving a time constant of approximately 30 microsecond, and sampling module consists of capillary tube. Since the transit time and the time constant of the sampling system depend on the sampling conditions, it is necessary to investigate the characteristics of sampling system before applied to exhaust gas measurement in engine. A unique method was designed to study the influence of the diameter of transfer sample line and operating conditions of the FRNDIR on transit time and time constant. A database of transit time and time constant was built up for different measured and simulated pressure conditions. The database can be used for correcting eventual $CO_2$ concentration measurement.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.11 no.1
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• pp.29-36
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• 2010

The spectroscopic characteristics of synthetic and natural emeralds were investigated by UV-Vis and FTIR spectroscopy before and after heat treatment. The Mo and Co for synthetic flux and C1 for synthetic hydrothermal emeralds have been detected by X-ray fluorescence analysis. In the region of UV-Visible, the absorption of emerald from Colombia was generally increased after the heat treatment. The peak which related to C1 component in the $3000-2600cm^{-1}$ was shown in the hydrothermal synthetic emeralds by FTIR spectroscopy. The $2358cm^{-1}$ peak which originates from $CO_2$ was decreased after the heat treatment in the natural emerald. This was corresponded with the changes of gas element after heat treatment.