화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.1, 540-551, 2001
Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation
The analytical solution of the recently proposed ideal chain polymer mean-spherical approximation [Kalyuzhnyi, Mol. Phys. 94, 735 (1998)] is presented for the multicomponent mixture of charged hard-sphere linear chain flexible molecules. The solution applies to any mixture of chain molecules with arbitrary distribution of the charge and size of the beads along the molecular backbone. Closed form analytical expressions for the internal energy, Helmholtz free energy, chemical potentials, and pressure are derived. By way of illustration thermodynamical properties of several versions of the fluid of charged chain molecules of different length, including the molecules with uniform, diblock, and alternating distribution of the charge, are studied. Theoretical predictions are in reasonable agreement with available computer simulation predictions. We also present the liquid-gas phase diagrams for systems with diblock and alternating distribution of the charge.