Rosenbluth chain cluster growth in the study of micelle self-assembly

A Rosenbluth algorithm [J. Chem. Phys. 23, 356 (1955)] for enumerating clus ters of chains is presented. The method is used to undertake a direct enume ration of the cluster partition function for small clusters in a three-dime nsional lattice model of a binary mixture of amphiphile and solvent. In thi s model, the amphiphiles are represented as connected chains on a lattice, with vacant sites representing the solvent. The results from the Rosenbluth method are compared with those obtained by Metropolis Monte Carlo simulati ons which allow free self-assembly of clusters. The agreement between the t wo methods allows an. unambiguous identification of the packing entropy ass ociated with micelle self-assembly. Results are presented for unbranched ch ains having two head and four tail segments (H2T4) and also four head and f our tail segments (H4T4). Although the cluster enumeration method described in this paper has been developed for micellar systems, it will have applic ations in a variety of areas including nucleation and percolation. [S1063-6 51X(99)06905-6].