Fourier transform near-infrared (FT-NIR) study of dissociation of octanoic acid in the liquid phase

Author(s):  
M. A. Czarnecki ◽  
Yong L. Liu ◽  
Yukihiro Ozaki ◽  
Masao Suzuki ◽  
Masahiro Iwahashi
1993 ◽  
Vol 47 (12) ◽  
pp. 2162-2168 ◽  
Author(s):  
Mirosław Antoni Czarnecki ◽  
Yongliang Liu ◽  
Yukihiro Ozaki ◽  
Masao Suzuki ◽  
Makio Iwahashi

Fourier transform near-infrared (FT-NIR) technique has been employed to determine the degree of dissociation and the thermodynamic parameters of octanoic acid in the liquid phase. FT-NIR absorption spectra of the acid over a temperature range of 15 to 92°C were recorded. From the spectra, intensities of the first overtone of the OH stretching mode due to the monomer form of the acid were extracted and were used to calculate the degree of dissociation and the thermodynamic parameters for the process of dissociation of dimeric octanoic acid into monomer species. In the 7400–6700 cm−1 region there appear many bands that are heavily overlapped; the attempts to apply curve-fitting and deconvolution algorithms to separate individual bands have failed. Here, a simple and reliable method of calculation of the intensities of the first overtone of the OH stretching mode due to the monomer is proposed. Also, an excellent procedure of determining the molar absorption coefficients (integrated and at peak position) through a series of measurements in CCl4 solution at very low concentrations is presented. The bands due to CH vibrations were eliminated in two ways; one way involved taking the concentration as a reference, and the other used the band area of the second overtone of the CH stretching modes as a reference. In the operation the spectrum of neat octanoic acid at 15.1°C was employed. The coefficients obtained by both methods are compared and discussed. The present studies indicate that both band areas and peak heights give results which are found to be in very good agreement.


2016 ◽  
Vol 10 (1) ◽  
pp. 172-179 ◽  
Author(s):  
Ayalew Debebe ◽  
Abel Anberbir ◽  
Mesfin Redi-Abshiro ◽  
Bhagwan Singh Chandravanshi ◽  
Araya Asfaw ◽  
...  

1998 ◽  
Vol 45 (4) ◽  
pp. 503-508 ◽  
Author(s):  
Pi-Tai Chou ◽  
Youn-Chan Chen ◽  
Shu-Juan Chen ◽  
Min-Zen Lee ◽  
Ching-Yen Wei ◽  
...  

2002 ◽  
Vol 10 (3) ◽  
pp. 203-214 ◽  
Author(s):  
N. Gierlinger ◽  
M. Schwanninger ◽  
B. Hinterstoisser ◽  
R. Wimmer

The feasibility of Fourier transform near infrared (FT-NIR) spectroscopy to rapidly determine extractive and phenolic content in heartwood of larch trees ( Larix decidua MILL., L. leptolepis (LAMB.) CARR. and the hybrid L. x eurolepis) was investigated. FT-NIR spectra were collected from wood powder and solid wood using a fibre-optic probe. Partial Least Squares (PLS) regression analyses were carried out describing relationships between the data sets of wet laboratory chemical data and the FT-NIR spectra. Besides cross and test set validation the established models were subjected to a further evaluation step by means of additional wood samples with unknown extractive content. Extractive and phenol contents of these additional samples were predicted and outliers detected through Mahalanobis distance calculations. Models based on the whole spectral range and without data pre-processing performed well in cross-validation and test set validation, but failed in the evaluation test, which is based on spectral outlier detection. But selection of data pre-processing methods and manual as well as automatic restriction of wavenumber ranges considerably improved the model predictability. High coefficients of determination ( R2) and low root mean square errors of cross-validation ( RMSECV) were obtained for hot water extractives ( R2 = 0.96, RMSECV = 0.86%, range = 4.9–20.4%), acetone extractives ( R2 = 0.86, RMSECV = 0.32%, range = 0.8–3.6%) and phenolic substances ( R2 = 0.98, RMSECV = 0.21%, range = 0.7–4.9%) from wood powder. The models derived from wood powder spectra were more precise than those obtained from solid wood strips. Overall, NIR spectroscopy has proven to be an easy to facilitate, reliable, accurate and fast method for non-destructive wood extractive determination.


2006 ◽  
Vol 14 (3) ◽  
pp. 161-166 ◽  
Author(s):  
Alexandra Durand ◽  
Laïla Hassi ◽  
Gilbert Lachenal ◽  
Isabelle Stevenson ◽  
Gérard Seytre ◽  
...  

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