A new methodology for predicting shape and size distribution of micelles

We propose a new methodology for predicting the approximate shape and size distribution of micelles. The methodology is a combination of the theory by Ben-Shaul and Gelbart, the Monte Carlo simulated annealing technique, and the reference interaction site model (RISM) theory with a robust and very efficient algorithm for solving the RISM equations. Though the methodology can be applied to realistic models of surfactant and solvent molecules with current computational capabilities, it is illustrated for simplified models as a preliminary step. (C) 1999 Elsevier Science B.V. All rights reserved.