Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published August 31, 2004 | public
Journal Article

Reversible Association of Telechelic Molecules: An Application of Graph Theory


We develop a method for calculating the exact free energy of tree clusters formed from associating telechelic molecules. The method uses the concept of rooted trees from the graph theory to enumerate all topologically distinct trees having a maximum degree of branching; it recursively separates the trees into different classes based on their connectivity, thus enabling the exact summation of the trees weighted by their respective Boltzmann factors. We apply our method to studying the pregel properties in pure telechelic solutions and in mixed telechelic and single-associating-end polymer solutions. We highlight the effect of energetic tendency for branching in the former and the effect of competitive association in the latter.

Additional Information

© 2004 American Chemical Society. Received 12 January 2004. Published online 30 July 2004. Published in print 1 August 2004. We thank Professor Avinoam Ben-Shaul and Professor Michael Rubinstein for helpful discussions. This research is supported in part by the National Science Foundation through the Center for the Science and Engineering of Materials. T.M.S. acknowledges financial support from the Caltech Summer Undergraduate Research Program.

Additional details

August 19, 2023
October 25, 2023