Decomposition of water Raman stretching band with a combination of optimization methods

被引：26

作者：

Burikov, Sergey ^{[1
]}

Dolenko, Sergey ^{[2
]}

Dolenko, Tatiana ^{[1
]}

Patsaeva, Svetlana ^{[1
,3
]}

Yuzhakov, Viktor ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119991, Russia

[2] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia

[3] OOO NPO OVAL Sci Prod Assoc, Moscow 115191, Russia

来源：

MOLECULAR PHYSICS | 2010年 / 108卷 / 06期

关键词：

Raman spectra; stretching bands structure; genetic algorithms; generalized reduced gradient; clathrate structure; hydrogen bonding; water; ethanol; alcohol solution; ETHANOL; SPECTROSCOPY; ASSOCIATION;

D O I：

10.1080/00268970903567288

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

In this study, an investigation of the behaviour of stretching bands of CH and OH groups of water-ethanol solutions at alcohol concentrations ranging from 0 to 96% by volume has been performed. A new approach to decomposition of the wide structureless water Raman band into spectral components based on modern mathematical methods of solution of inverse multi-parameter problems - combination of Genetic Algorithm and the method of Generalized Reduced Gradient - has been demonstrated. Application of this approach to decomposition of Raman stretching bands of water-ethanol solutions allowed obtaining new interesting results practically without a priori information. The behaviour of resolved spectral components of Raman stretching OH band in binary mixture with rising ethanol concentration is in a good agreement with the concept of clathrate-like structure of water-ethanol solutions. The results presented in this paper confirm existence of essential structural rearrangement in water-ethanol solutions at ethanol concentrations 20-30% by volume.

引用

页码：739 / 747

页数：9

共 29 条

[1]

Influence of temperature and ethanol content on aggregation of rhodamine 6G molecules in aqueous ethanol solutions [J].

Ageev, D. V. ;

Patsaeva, S. V. ;

Ryzhikov, B. D. ;

Sorokin, V. N. ;

Yuzhakov, V. I. .

JOURNAL OF APPLIED SPECTROSCOPY, 2008, 75 (05) :653-657

[2]

Revelation of ion hydration in Raman scattering spectral bands of water [J].

Burikov, S. A. ;

Dolenko, T. A. ;

Fadeev, V. V. ;

Vlasov, I. I. .

LASER PHYSICS, 2007, 17 (10) :1255-1261

[3]

The effect of hydration of ions of inorganic salts on the shape of the Raman stretching band of water [J].

Burikov, SA ;

Dolenko, TA ;

Velikotnyi, PA ;

Sugonyaev, AV ;

Fadeev, VV .

OPTICS AND SPECTROSCOPY, 2005, 98 (02) :235-239

[4]

BURIKOV SA, 2009, ATMOS OCEANIC OPT, V22, P1082

[5]

Raman Spectroscopy for the undergraduate teaching laboratory: Quantification of ethanol concentration in consumer alcoholic beverages and qualitative identification of marine diesels using a miniature Raman spectrometer [J].

Cleveland, Danielle ;

Carlson, Matthew ;

Hudspeth, Evan D. ;

Quattrochi, Lauren E. ;

Batchler, Kathleen L. ;

Balram, Shrimati A. ;

Hong, Seongun ;

Michel, Robert G. .

SPECTROSCOPY LETTERS, 2007, 40 (06) :903-924

[6]

DOMINANT FORCES IN PROTEIN FOLDING [J].

DILL, KA .

BIOCHEMISTRY, 1990, 29 (31) :7133-7155

[7]

Low-frequency Raman spectroscopy of ethanol-water binary solution: Evidence for self-association of solute and solvent molecules [J].

Egashira, K ;

Nishi, N .

JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (21) :4054-4057

[8]

Eisenberg D., 1969, The Structure and Properties of Water

[9]

Design and use of the Microsoft Excel Solver [J].

Fylstra, D ;

Lasdon, L ;

Watson, J ;

Waren, A .

INTERFACES, 1998, 28 (05) :29-55

[10]

Gogolinskaya T. A., 1986, Soviet Physics - Doklady, V31, P820

← 1 2 3 →