The number of configurations, c（n, m）, of a single chain with length n attached to a flat surface with m monomers contacting the surface is exactly enumerated. A fimction of c（n, m） about m and n is obtained. From...The number of configurations, c（n, m）, of a single chain with length n attached to a flat surface with m monomers contacting the surface is exactly enumerated. A fimction of c（n, m） about m and n is obtained. From the function, a scaling law for mean energy of chain is derived, and we estimate the critical point εc = 0.276 and the crossover exponent φ = 0.5. The free energy difference between tethered chain and free chain in dilute solution is also studied, which shows the critical adsorption point is about 0.272 for infinite long chain with φ= 0.5.展开更多
The conformational entropy S and free energy F were calculated by exact enumeration of polysilane chain up to 23 segments with excluded volume (EV) and long-range van der Waals (VW) interaction. A nonlinear relation b...The conformational entropy S and free energy F were calculated by exact enumeration of polysilane chain up to 23 segments with excluded volume (EV) and long-range van der Waals (VW) interaction. A nonlinear relation between SEV+VW and chain length n was found though S-EV was found to vary linearly with n. We found that the second-order transition temperature of polysilane chain with VW interaction increases with the increase of chain length, while that of polysilane chain without VW interaction is chain length independent. Moreover, the free energies FEV+VW and F-EV are both linearly related with n, and FEV+VW < F-EV for all temperatures.展开更多
基金supported by the National Natural Science Foundation of China(No.20874088)
文摘The number of configurations, c（n, m）, of a single chain with length n attached to a flat surface with m monomers contacting the surface is exactly enumerated. A fimction of c（n, m） about m and n is obtained. From the function, a scaling law for mean energy of chain is derived, and we estimate the critical point εc = 0.276 and the crossover exponent φ = 0.5. The free energy difference between tethered chain and free chain in dilute solution is also studied, which shows the critical adsorption point is about 0.272 for infinite long chain with φ= 0.5.
文摘The conformational entropy S and free energy F were calculated by exact enumeration of polysilane chain up to 23 segments with excluded volume (EV) and long-range van der Waals (VW) interaction. A nonlinear relation between SEV+VW and chain length n was found though S-EV was found to vary linearly with n. We found that the second-order transition temperature of polysilane chain with VW interaction increases with the increase of chain length, while that of polysilane chain without VW interaction is chain length independent. Moreover, the free energies FEV+VW and F-EV are both linearly related with n, and FEV+VW < F-EV for all temperatures.
