MOLECULAR DYNAMICS OF DISPERSE SYSTEMS. 3. DISPERSION ISOTROPIC COMPLICATED MOLECULAR ENVIRONMENTS
DOI:
https://doi.org/10.15673/0453-8307.4/2013.57358Keywords:
Dispersion systems, Molecular interactions, Molecular models, Elongated and flat (discotic) molecules, Structure, physical and chemical properties - P-azoxyanisole (PAA) - N-(p-methoxybenzylidene) - p-n-butylaniline (MBB4A), Benzene-hexa-n-alkanoatesAbstract
The molecular dynamics method (MMD) implementation in the context of the complicated molecu-lar isotropic dispersive environments is considered. Particular attention is paid to elongated mol-ecules systems, as well as systems of flat (discotic) molecules due to their wide practical applica-tion (hydrocarbon, refrigerants¸ coolants, etc.), and also due to the ability of the systems under certain conditions (temperature, density, external fields) to form liquid crystals, anisotropic envi-ronments. P-azoxyanisole (PAA), N-(p-methoxybenzylidene)-p-n-butylaniline (MBBA), Benzene-hexa-n-alkanoates (BHA) and other systems with a similar molecular structure are discussed in detail. Such systems are of particular interest considering their specific properties and possible new effects associated with a transition from isotropic liquid to liquid crystal and solid, in particu-lar colloidal solutions and nanofluids.References
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