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JSIR Vol.65 [2006] >
JSIR Vol.65(05) [May 2006] >
| Title: | Quantitative analysis of methanol, an adulterant in alcoholic beverages, using attenuated total reflectance spectroscopy |
| Authors: | Nagarajan, R
Mehrotra, R
Bajaj, M M |
| Keywords: | Attenuated total reflectance
Calibration
Correlation coefficient
Partial least squares
Root mean square error
Methanol |
| Issue Date: | May-2006 |
| Publisher: | CSIR |
| IPC Code: | G01J3/42 |
| Abstract: | To quantify methanol, a spurious adulterant in alcoholic beverages, attenuated total reflectance (ATR) technique is used. Synthetic samples (100) are prepared for developing a suitable calibration model. Spectra are recorded for all samples in wavelength region 4000-600 cm-1 using Bio-Rad 175 C FTS spectrophotometer in ATR mode. Calibration equation is obtained using partial least squares (PLS) method. Correlation coefficient and root mean square error values for methanol are R2cal: 0.9860, R2val: 0.9839 and RMSEC: 0.0470, RMSEV: 0.0505. Spectral measurement is done for 10 samples and their methanol concentration (0.5-2.5%) is predicted using the developed calibration model. The reliability and repeatability of spectroscopic technique may be appreciated by the agreement between ATR predicted results to those of actual values. |
| Page(s): | 416-419 |
| ISSN: | 0975-1084 (Online); 0022-4456 (Print) |
| Source: | JSIR Vol.65(05) [May 2006]
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