Self-avoiding random walks subject to external spatial constraints

Self-avoiding random walks, used to simulate macromolecules, have been investigated under circumstances involving external spatial constraints. Calculations have been made for two and three dimensional systems in which the available room for a chain is finite in one direction but infinite in other orthogonal directions. A representative statistical sample is obtained using the ’’slithering snake’’ Monte Carlo technique on chains so confined. Theoretical equations have been developed for dimensions of chains that are limited, in one direction, to a magnitude at least as great as that of the stretched chain. Agreement between observation and theory is satisfactory, and the overall results disclose the effect of such confinement.