Infrared quantification of ethanol and 1-butanol hydrogen bonded hydroxyl distributions in cyclohexane
메타 데이터
바이오화학분류
바이오정밀화학
용매
화학제품
연료
화장품용 기능성소재
계면활성제⁄증점제
논문
Infrared quantification of ethanol and 1-butanol hydrogen bonded hydroxyl distributions in cyclohexane
학술지
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
저자명
Killian, William G.; Bala, Aseel M.; Norfleet, Andrew T.; Peereboom, Lars; Jackson, James E.; Lira, Carl T.
초록
Quantifying the mid-range infrared hydroxyl stretch absorbance region has traditionally been a challenge due to the wavenumber dependence of the attenuation coefficient. Interpretation often assigns a single attenuation coefficient to each type of hydrogen-bonded aggregate. This work leverages a recently developed technique of scaling hydroxyl stretching absorbances in the mid-infrared region with a continuous attenuation coefficient function that produces integrated areas which directly correlate to hydroxyl concentrations. After scaling, the hydroxyl absorbance is fitted with five curves, of which four are dominant. These four curves represent unique hydroxyl configurations and translate to specific aggregate structures. The technique is applied to ethanol and 1-butanol. The resulting population distributions of hydrogen-bonded hydroxyl configurations are compared with the resummed thermodynamic perturbation theory (RTPT) model for linear chains as a function of concentration and temperature. The model is demonstrated to capture the critical features of the distributions.