A quasichemical model for comb-like aggregation of monohydric alcohols: supramolecular structure and macroscopic properties
| Autor: | Vladimir A. Durov, Ignat Yu. Shilov, Maxim N. Artyomov |
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| Rok vydání: | 2011 |
| Předmět: |
Permittivity
Chemistry Intermolecular force Enthalpy Supramolecular chemistry Structure (category theory) Thermodynamics Dielectric Condensed Matter Physics Electronic Optical and Magnetic Materials Condensed Matter::Soft Condensed Matter Dipole Materials Chemistry Physical chemistry Physical and Theoretical Chemistry Anisotropy |
| Zdroj: | Physics and Chemistry of Liquids. 49:384-408 |
| ISSN: | 1029-0451 0031-9104 |
| Popis: | A new quasichemical model of the supramolecular structure of the liquid consisting of chain-like and comb-like hydrogen-bonded aggregates with branches of unit length has been developed. Analytical expressions for structural characteristics (size and structure distributions of aggregates), dielectric (permittivity, dipole correlation factor), optic (mean molecular anisotropy in liquid, optic correlation factor, anisotropic Rayleigh light scattering ratio) and thermodynamic (energy of intermolecular interactions in liquid, vaporisation enthalpy) properties of the liquid as functions of structural and thermodynamic aggregation parameters have been derived. The analytical model developed creates the foundation for studying the role of branched aggregates in the supramolecular structure of liquids and various macroscopic properties determined by different molecular parameters. The model is applied to pure methanol at ambient conditions. The dependence of structural characteristics of liquid, dipole correlatio... |
| Databáze: | OpenAIRE |
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