Molecular-shape- and size-independent power-law dependence of percolation thresholds on radius of gyration in ideal molecular systems

20 May 2020  ·  Yuki Norizoe, Toshihiro Kawakatsu, Hiroshi Morita ·

Three-dimensional single-component ideal gas systems composed of model homogeneous rigid molecules in various molecular shapes and sizes are simulated by a molecular Monte Carlo simulation technique. We reveal that percolation thresholds of such single-component systems result in, when the molecular volume is fixed, power-law decreasing functions of the radius of gyration (gyradius) of the molecules... The systems with the same parameter set of the molecular volume and radius of gyration, but in different molecular shapes, show the identical value of the percolation threshold. Moreover, we also reveal that a dimensionless scale-free parameter, which is the ratio between the radius of gyration and real cube root of the molecular volume, uniquely determines the percolation threshold. read more

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Soft Condensed Matter Statistical Mechanics