Towards a simplified approach to the modelling of the star-like molecule fluids

• Дата: 2002
• Автори: Duda, Yu., Trokhymchuk, A.
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики конденсованих систем НАН України 2002
• Назва видання: Condensed Matter Physics
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/120597
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Towards a simplified approach to the modelling of the star-like molecule fluids / Yu. Duda, A. Trokhymchuk // Condensed Matter Physics. — 2002. — Т. 5, № 2(30). — С. 227-247. — Бібліогр.: 43 назв. — англ.

A theoretical approach to considering a wide spectrum of equilibrium properties of fluids formed from the four-branched molecules (e.g. four-arm star polysterene samples, four-arm block copolymers, etc.) is presented and discussed. The proposed approach is within the framework of an associative version of integral equation theory and is based on an analytical solution of the four-site associative hard-sphere model. Results and discussion are explained by the comparison against Monte Carlo computer simulation data generated for a freely-joined tangent hard-sphere model of a star-like molecule fluid. It is shown that the proposed theory works well for the star-like molecule fluids in homogeneous phase where it predicts the structure for molecules with relatively long arms and at high densities. The obtained results qualitatively reproduce the most important experimental features of the solvation force induced between two macrosurfaces due to the presence of star-like aggregates.