Corrections to scaling and crossover from good- to theta-solvent regimes of interacting polymers.
We exploit known properties of universal ratios, involving the radius of gyration R(g), the second and third virial coefficients B(2) and B(3), and the effective pair potential between the centers of mass of self-avoiding polymer chains with nearest-neighbor attraction, as well as Monte Carlo simulations, to investigate the crossover from good- to theta-solvent regimes of polymers of finite length L. The scaling limit and finite-L corrections to scaling are investigated in the good-solvent case and close to the theta temperature. Detailed interpolation formulas are derived from Monte Carlo data and results for the Edwards two-parameter model, providing estimates of universal ratios as functions of the observable ratio A(2)=B(2)/R(g) (3) over the whole temperature range, from the theta point to the good-solvent regime. The convergence with L (L< or =8000) is found to be satisfactory under good-solvent conditions, but longer chains would be required to match theoretical predictions near the theta point, due to logarithmic corrections. A quantitative estimate of the universal ratio A(3)=B(3)/R(g) (6) as a function of temperature shows that the third virial coefficient remains positive throughout, and goes through a pronounced minimum at the theta temperature, which goes to zero as 1/ln L in the scaling limit.
Pelissetto
Andrea
A
Dipartimento di Fisica and INFN-Sezione di Roma I, Università degli Studi di Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Rome, Italy. Andrea.Pelisseto@roma1.infn.it
Hansen
Jean-Pierre
JP