Monte Carlo simulation and self-consistent field theory for a single chain on a diamond lattice

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Abstract

Monte Carlo simulations of self-avoiding walks with nearest-neighbor attractions were performed on a diamond lattice for n ??????? 210, where n was the no. of steps. The data were compared with the scaling anal. of M. Daoud and G. Jannink and P. G. de Gennes, and, as found by previous simulation studies, a crossover exponent greater than the theor. value was required for a good fit in the good solvent regime, though the theory worked much better on the poor solvent side. For good solvent conditions, the results did not accord too well with 2-parameter theory, and the theor. expression of M. Muthukumur and B. G. Nickel fit the data rather poorly. The Domb-Barrett interpolation formulas fit somewhat better. This did lend wt. to the view that lattice corrections to 2-parameter theory were important. The results were compared with a SCF theory over the whole range of solvent conditions. Provided an n-dependent excluded vol. parameter was used, fair agreement for many properties could be obtained for both good and poor solvents. [on SciFinder(R)]

Keyword(s)

Chains (single, on diamond lattice, Monte Carlo simulation and SCF theory for, in good and bad solvent conditions) ; Law (scaling, of single chains on diamond lattice, in good and bad solvent conditions); Monte Carlo simulation single chain; Quantum chemistry (SCF, of single chains on diamond lattice, in good and bad solvent conditions) ; Radius of gyration (of single chains on diamond lattice, in good and bad solvent conditions, Monte Carlo simulation and SCF theory for) ; SCF theory chain; Solvent effect (on behavior of single chains on diamond lattice, Monte Carlo simulation and SCF theory in relation to) ; scaling single chain diamond lattice; solvent effect single chain simulation

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