Structure of Associated Mixtures with Various Number of Intermolecular Bonds: Numerical Simulation
Using models of thermoassociated polymers, a cellular model of associated solutions is developed for cases where molecules of a solute are able to form from 2 to 6 bonds with each other. It is shown that solutions associated by weak intermolecular interactions in a certain range of concentrations can be considered as systems of flickering pseudo-polymeric macromolecules with a fractal structure.
Keywords:solutions associated solutions solution structure polymer fractal dimension fractal structure lattice model numerical model
This work was performed in terms of the RF Government task (theme V 45.5, 0082-2014-0015, АААА-А17-117032750201-9); it was supported by the Russian Foundation for Basic Research (project no. 17-03-00146).
- 2.D. N. Tarasov and R. P. Tiger, Khim. Fiz. 24 (1), 42 (2005).Google Scholar
- 3.D. N. Tarasov and R. P. Tiger, Khim. Fiz. 25 (5), 23 (2006).Google Scholar
- 13.D. N. Tarasov, R. P. Tiger, S. G. Entelis, A. V. Gorshkov, and S. V. Zaporozhskaya, Kinet. Catal. 38, 474 (1997).Google Scholar
- 14.D. N. Tarasov, R. P. Tiger, S. G. Entelis, A. V. Gorshkov, and M. A. Levina, Kinet. Catal. 40, 28 (1999).Google Scholar
- 17.A. A. Neverov, S. A. Deiko, and A. K. Yatsimirskii, Kinet. Katal. 30, 793 (1989).Google Scholar
- 21.K. Binder, Monte Carlo and Molecular Dynamics Simulations in Polymer Science (Oxford Univ. Press, New York, 1995).Google Scholar
- 27.P. G. de Gennes, Scaling Concepts in Polymer Physics (Cornell Univ., Ithaca, London, 1979).Google Scholar