• 제목/요약/키워드: Spectroscopy Analysis

검색결과 3,204건 처리시간 0.03초

적외선 분광분석과 다변량 통계에 기반한 바이오디젤 품질분석 (Analysis of biodiesel quality based on infrared spectroscopy and multivariate statistics)

  • 김혜실;조현우;유준
    • 분석과학
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    • 제25권4호
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    • pp.214-222
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    • 2012
  • ASTM (American Society for Testing and Materials) D6751-10은 바이오디젤의 품질 규격 뿐 아니라 분석방법 또한 제시하고 있다. 하지만 ASTM 표준에 따른 바이오디젤 및 포함된 여러 불순물의 품질 분석은 경제적, 시간적으로 부담이 크다. 본 연구는 적외선 분광분석법(infrared spectroscopy)과 다변량 통계분석법 중 하나인 PLS (partial least square method)를 이용하여 1회 측정만으로 바이오 디젤 및 불순물들의 농도를 분석하는 시스템을 개발하고자 하였다. 특히, 적외선을 이용한 분석에서 생기는 각 물질의 스펙트럼에 대한 산란 보정, 노이즈 감소 등을 위해 SNV, MSC, OSC, Savitzky-Golay 등의 4가지 전처리 방법의 성능을 비교하였다. 품질 분석에 필요한 바이오 디젤 검량 모델을 PLS로 모델링 결과, Savitzky-Golay 전처리를 하였을 때 정확도가 가장 우수함을 알았다.

13C-NMR Spectroscopy of Urea-Formaldehyde Resin Adhesives with Different Formaldehyde/Urea Mole Ratios

  • Park, Byung-Dae;Lee, Sang M.;Park, Jong-Young
    • Journal of the Korean Wood Science and Technology
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    • 제36권2호
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    • pp.63-72
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    • 2008
  • As a part of abating formaldehyde emission of urea-formaldehyde (UF) resin adhesive, this study was conducted to investigate chemical structures of UF resin adhesives with different formaldehyde/urea (F/U) mole ratios, using carbon-13 nuclear magnetic resonance ($^{13}C$-NMR) spectroscopy. UF resin adhesives were synthesized at four different F/U mole ratios such as 1.6, 1.4, 1.2, and 1.0 for the analysis. The analysis $^{13}C$-NMR spectroscopy showed that UF resin adhesives with higher F/U mole ratios (i.e., 1.6 and 1.4) had two distinctive peaks, indicating the presence of dimethylene ether linkages and methylene glycols, a dissolved form of free formaldehyde. But, these peaks were not detected at the UF resins with lower F/U mole ratios (i.e., 1.2 and 1.0). These chemical structures present at the UF resins with higher F/U mole ratios indicated that UF resin adhesive with higher F/U mole ratio had a greater contribution to the formaldehyde emission than that of lower F/U mole ratio. Uronic species were detected for all UF resins regardless of F/U mole ratios.

Exploration of structural, thermal and spectroscopic properties of self-activated sulfate Eu2(SO4)3 with isolated SO4 groups

  • Denisenko, Yu.G.;Aleksandrovsky, A.S.;Atuchin, V.V.;Krylov, A.S.;Molokeev, M.S.;Oreshonkov, A.S.;Shestakov, N.P.;Andreev, O.V.
    • Journal of Industrial and Engineering Chemistry
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    • 제68권
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    • pp.109-116
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    • 2018
  • $Eu_2(SO_4)_3$ was synthesized by chemical precipitation method and the crystal structure was determined by Rietveld analysis. The compound crystallizes in monoclinic space group C2/c. In the air environment, $Eu_2(SO_4)_3$ is stable up to $670^{\circ}C$. The sample of $Eu_2(SO_4)_3$ was examined by Raman, Fourier-transform infrared absorption and luminescence spectroscopy methods. The low site symmetry of $SO_4$ tetrahedra results in the appearance of the IR inactive ${\nu}_1$ mode around $1000cm^{-1}$ and ${\nu}_2$ modes below $500cm^{-1}$. The band intensities redistribution in the luminescent spectra of $Eu^{3+}$ ions is analyzed in terms of the peculiarities of its local environment.

Wavelength selection by loading vector analysis in determining total protein in human serum using near-infrared spectroscopy and Partial Least Squares Regression

  • Kim, Yoen-Joo;Yoon, Gil-Won
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.4102-4102
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    • 2001
  • In multivariate analysis, absorbance spectrum is measured over a band of wavelengths. One does not often pay attention to the size of this wavelength band. However, it is desirable that spectrum is measured at only necessary wavelengths as long as the acceptable accuracy of prediction can be met. In this paper, the method of selecting an optimal band of wavelengths based on the loading vector analysis was proposed and applied for determining total protein in human serum using near-infrared transmission spectroscopy and PLSR. Loading vectors in the full spectrum PLSR were used as reference in selecting wavelengths, but only the first loading vector was used since it explains the spectrum best. Absorbance spectra of sera from 97 outpatients were measured at 1530∼1850 nm with an interval of 2 nm. Total protein concentrations of sera were ranged from 5.1 to 7.7 g/㎗. Spectra were measured by Cary 5E spectrophotometer (Varian, Australia). Serum in the 5 mm-pathlength cuvette was put in the sample beam and air in the reference beam. Full spectrum PLSR was applied to determine total protein from sera. Next, the wavelength region of 1672∼1754 nm was selected based on the first loading vector analysis. Standard Error of Cross Validation (SECV) of full spectrum (1530∼l850 nm) PLSR and selected wavelength PLSR (1672∼1754 nm) was respectively 0.28 and 0.27 g/㎗. The prediction accuracy between the two bands was equal. Wavelength selection based on loading vector in PLSR seemed to be simple and robust in comparison to other methods based on correlation plot, regression vector and genetic algorithm. As a reference of wavelength selection for PLSR, the loading vector has the advantage over the correlation plot since the former is based on multivariate model whereas the latter, on univariate model. Wavelength selection by the first loading vector analysis requires shorter computation time than that by genetic algorithm and needs not smoothing.

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Impedance spectroscopy analysis of the $Li_2CO3$ doped $(Ba,Sr)TiO_3$ thick films

  • 함용수;고중혁
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2009년도 추계학술대회 논문집
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    • pp.27-28
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    • 2009
  • In this study, we have fabricated the 3 wt% $Li_2CO3$ doped $(Ba,Sr)TiO_3$ thick films on the Ag/Pd printed $Al_2O_3$ substrates for the LTCCs (Low Temperature Co-fired Ceramics) applications. From the X-ray diffraion analysis, 3 wt% $Li_2CO3$ doped BST thick films on the Ag/Pd printed $Al_2O_3$ substrates, which sintered at 900 $^{\circ}C$ have perovskite structure without any pyro phase. The dielectric properties of 3 wt% $Li_2CO3$ doped BST thick films were measured from 1 kHz to 1 MHz. To investigate the electrical properties of 3 wt% $Li_2CO3$ doped BST thick films, we employed the impedance spectroscopy. The complex impedance of 3 wt% $Li_2CO3$ doped BST thick films were measured from 20 Hz to 1 MHz at the various temperatures.

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초음파 Spectroscopy에 의한 두께측정을 위한 다중반사파의 시뮬레이션 (Computer Simulation of Multiple Reflection Waves for Thickness Measurement by Ultrasonic Spectroscopy)

  • 박익근;한응교;최만용
    • 비파괴검사학회지
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    • 제12권1호
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    • pp.9-15
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    • 1992
  • Ultrasonic spectroscopy is likely to become a very powerful NDE method for detection of microfects and thickness measurement of thin film below the limit of ultrasonic distance resolution in the opaque materials, provides a useful information that cannot be obtained by a conventional ultrasonic measuring system. In this paper, we considered a thin film below the limit of ultrasonic distance resolution sandwitched between two substances as acoustical analysis model, demonstrated the usefulness of ultrasonic spectroscopic analysis technique using information of ultrasonic frequency for measurements of thin film thickness, regardless of interference phenomenon and phase reversion of ultrasonic waveform. By using frequency intervals(${\triangle}f$) of periodic minima from the ratio of reference power spectrum of reflective waveform obtained a sample to power spectrum of multiple reflective waves obtained interference phenomenon caused by ultrasonic waves reflected at the upper and lower surfaces of a thin layer, can measured even dimensions of interest are smaller than the ultrasonic wave length with simplicity and accuracy.

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Chemical synthesis of processable conducting polyaniline derivative with free amine functional groups

  • Kar, Pradip
    • Advances in materials Research
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    • 제3권2호
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    • pp.117-128
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    • 2014
  • Processable conducting polyaniline derivative with free amine functional groups was successfully synthesized from the monomer o-phenylenediamine in aqueous hydrochloric acid medium using ammonium persulfate as an oxidative initiator. The synthesized poly(o-phenylenediamine) (PoPD) in critical condition was found to be completely soluble in common organic solvents like dimethyl sulfoxide, N,N-dimethyl formamide etc. From the intrinsic viscosity measurement, the optimum condition for the polymerization was established. The polymer was characterized by ultraviolet visible spectroscopy, Fourier transform infrared spectroscopy, proton magnetic resonance spectroscopy ($^1HNMR$) and thermogravimetric (TGA) analyses. The weight average molecular weights of the synthesized polymers were determined by the dynamic light scattering (DLS) method. From the spectroscopic analysis the structure was found to resemble that of polyaniline derivative with free amine functional groups attached to ortho/meta position in the phenyl ring. However, very little ladder unit was also present with in the polymer chain. The moderate thermal stability of the synthesized polymer could be found from the TGA analysis. The average DC conductivity of $2.8{\times}10^{-4}S/cm$ was observed for the synthesized polymer pellet after doping with hydrochloric acid.

Characterization of Thermal Behavior of Biodegradable Poly(hydroxyalkanoate) by Two-Dimensional Correlation Spectroscopy

  • Jung, Young-Mee;Ozaki, Yukihiro;Noda, Isao
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.355-355
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    • 2006
  • In this study, we have applied principal component analysis-based 2D (PCA2D) correlation spectroscopy to the temperature-dependent IR spectra of biodegradable poly(hydroxyalkanoate). PCA2D analysis reveals clearly that there are two components in crystalline band of C=O stretching mode without being hampered by noise. To better understand the thermal behavior of biodegradable poly(hydroxyalkanoate), eigenvalue manipulating transformation (EMT) technique was also employed. By uniformly lowering the power of a set of eigenvalues associated with the original data, the subtle contributions from minor eigenvectors are highlighted. Details of thermal behavior of biodegradable poly(hydroxyalkanoate) studied by PCA2D correlation spectroscopy with EMT will be discussed.

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Structural Study of the Activated Carbon Fiber using Laser Raman Spectroscopy

  • Roh, Jae-Seung
    • Carbon letters
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    • 제9권2호
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    • pp.127-130
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    • 2008
  • This study aims to find a correlation between XRD and Raman result of the activated carbon fibers as a function of its activation degrees. La of the isotropic carbon fiber prepared by oxidation in carbon dioxide gas have been observed using laser Raman spectroscopy. The basic structural parameters of the fibers were evaluated by XRD as well, and compared with Raman result. The La of the carbon fibers were measured to be 25.5 ${\AA}$ from Raman analysis and 23.6 ${\AA}$ from XRD analysis. La of the ACFs were 23.6 ${\AA}$ and 20.4 ${\AA}$, respectively, representing less ordered through activation process. It seems that the $I_D/I_G$ of Raman spectra were related to crystallite size(La). Raman spectroscopy has demonstrated its unique ability to detect structural changes during the activation of the fibers. There was good correlation between the La value obtained from Raman and XRD.

철강산업에 뫼스바우어 분광기법의 응용 (Application of Mössbauer Spectroscopy for Steel Industry)

  • 오세진
    • 한국자기학회지
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    • 제16권1호
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    • pp.51-59
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    • 2006
  • 뫼스바우어 분광기법은 철강에 관련한 연구 및 개발을 위하여 중요한 분석방법이라고 할 수 있다. 뫼스바우어 분광기법의 가장 큰 장점은 철강의 특성을 정량적으로 분석할 수 있다는 것이다. 이러한 정량적 분석은 철강의 표면에 형성되는 부식생성물의 상들에 대한 구성비율을 비롯하여 노출환경, 철강의 종류, 합금성분, 입자의 크기, 형성 및 상변환등에 관련한 중요한 정보를 제공하게 된다. 그리고 철강의 종류와 합금성분에 따른 철강제품의 강도 및 상거동등에 관련한 특성들의 분석까지 정밀하게 활용할 수 있다.