Determination of water content in alcohol by portable near infrared (NIR) system

휴대용 분광분석기를 이용한 알코올 중에 함유되어 있는 물의 측정

  • Ahn, Jhii-Weon (College of Pharmacy, Dongduk Women's University) ;
  • Woo, Young-Ah (College of Pharmacy, Dongduk Women's University) ;
  • Kim, Hyo-Jin (College of Pharmacy, Dongduk Women's University)
  • 안지원 (동덕여자대학교 약학대학) ;
  • 우영아 (동덕여자대학교 약학대학) ;
  • 김효진 (동덕여자대학교 약학대학)
  • Received : 2002.10.29
  • Accepted : 2003.03.18
  • Published : 2003.04.25


In this study, water content in the mixture of methanol and ethanol was nondestructively measured by near infrared (NIR) spectroscopy. Two types of NIR instruments, portable NIR system with a photo-diode array and scanning type NIR spectrometer were used and the calibration results were compared. Partial least squares regression (PLSR) was applied for the calibration and validation for the quantitative analysis. The calibration results from both instruments showed good correlation with actual values. The calibration with the use of PLS model predicted water concentration with a standard error of prediction (SEP) of 0.10% and 0.12% for photo diode array and scanning type, respectively. During 6 days, routine analyses for 3%, 5% and 7% water in ethanol solution with 2% methanol were performed to validate the robustness of the developed calibration model. The routine analyses showed good results with coefficient of variation (CV) of within 3% for both types of NIR spectrometers. This study showed that the rapid determination of water in the mixture of methanol and ethanol was successfully performed by NIR spectroscopy and the performance of the portable NIR system with a photo diode array detector was comparable to that of the scanning type NIR spectrometer.

본 연구에서는 근적외선 분광분석법 (NIR)을 이용하여 메탄올과 에탄올 혼합액 중의 물의 함량을 비파괴적으로 측정하였다. Photo-diode array 방식의 휴대용 NIR system과 scanning 방식의 NIR spectrometer를 이용하여 두 기기 사이의 calibration 결과를 비교하였다. 알코올 혼합액 중의 물의 함량을 정량분석 하기 위해 부분최소자승회귀분석법 (PLSR : partial least squares regression)을 사용하였다. 그 결과 SEP (standard error of prediction)가 photo-diode array 방식을 사용하였을 때는 0.10%, scanning 방식을 사용하였을 때는 0.12%였다. Calibration 모델의 안정성을 확인하기 위하여 6일 동안 2%의 메탄올을 함유하고 있는 에탄올 용액 중의 물의 함량이 3%, 5% 및 7% 되도록 시료를 조제하여 측정하였다. 두 가지 방식의 NIR 모두 3%이내의 변동계수 (CV : coefficient of variation)로 좋은 결과를 나타내었다. 이번 연구를 통해서 메탄올과 에탄올 혼합액 중의 물의 함량 측정이 근적외선 분광분석법을 이용하여 성공적으로 수행되었고 photo-diode array 방식의 휴대용 NIR 시스템을 이용해서 scanning 방식의 NIR spectrometer를 이용한 결과와 유사한 결과를 얻을 수 있었다.



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