Monte Carlo simulations of chains confined inside a cube

Self-avoiding walks (SAWs) and random-flight walks (RFWs) of various lengths embedded on a simple cubic lattice have been computer generated inside cubes of varying side. If B is the side of the confining cube, we define the reduced cube side size B-0 as B-0 = (B - 1)/[r(2)](1/2), where [r(2)](1/2) is the root-mean-square end-to-end distance of the non-confined chains. Dimensionless diagrams are then given of the Monte Carlo estimates for the dimensions, the entropy, and the compressibility parameter PV/(kT) of the confined chains as a function of B-0. The comparative behaviour of the confined SAWs and RFWs is established, scaling properties are examined, and the Monte Carlo estimates compared with theory when such theory is available.