Microheterogeneity in binary mixtures of propyl alcohols with water: NIR spectroscopic, two-dimensional correlation and multivariate curve resolution study

作者: Paweł Tomza , Mirosław Antoni Czarnecki

DOI: 10.1016/J.MOLLIQ.2015.05.033

关键词: Physical chemistryAlcoholPhase (matter)Organic chemistryBinary numberPropyl AlcoholsMoleculeChemistryTwo-dimensional correlation analysisWater contentIdeal solution

摘要: Abstract Separation at a molecular level is responsible for macroscopic structure of liquids and leads to anomalous behavior the physicochemical properties mixtures. Here, we present study microheterogeneity in binary mixtures propyl alcohols with water. Both are fully miscible water but due different structures one may expect some differences interaction level. Thus, special attention was paid changes separation alcohol molecules going from 1-propanol 2-propanol. Our results indicate that spite structures, both reveal similar properties. In water-poor region same environment as those pure liquid alcohols, while do not form separate clusters dispersed organic phase. At higher content interacting OH groups alcohol's clusters. The transition state formation continuous process. largest deviation ideal mixture appears an alcohol:water molar ratio 1:2. differ mainly degree hydration less hydrated than 2-propanol, hence 1-propanol/water more heterogeneous. On basis available literature data can conclude extent alcohol/water related self-association alcohol.

参考文章(37)
George A. Jeffrey, An Introduction to Hydrogen Bonding ,(1997)
Richard G. Brereton, Applied Chemometrics for Scientists ,(2007)
Jerry Workman, Howard Mark, Chemometrics in Spectroscopy ,(2007)
Takaaki Sato, Akio Chiba, Ryusuke Nozaki, Composition-dependent dynamical structures of 1-propanol–water mixtures determined by dynamical dielectric properties Journal of Chemical Physics. ,vol. 113, pp. 9748- 9758 ,(2000) , 10.1063/1.1321767
Roma. Tauler, Bruce. Kowalski, Sydney. Fleming, Multivariate curve resolution applied to spectral data from multiple runs of an industrial process Analytical Chemistry. ,vol. 65, pp. 2040- 2047 ,(1993) , 10.1021/AC00063A019
S. Dixit, J. Crain, W. C. K. Poon, J. L. Finney, A. K. Soper, Molecular segregation observed in a concentrated alcohol–water solution Nature. ,vol. 416, pp. 829- 832 ,(2002) , 10.1038/416829A