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Computer simulation of solutions of telechelic polymers with associating end‐groups
Author(s) -
Khalatur Pavel G.,
Khokhlov Alexei R.
Publication year - 1996
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1996.040050507
Subject(s) - micelle , monte carlo method , bridging (networking) , polymer , chain (unit) , polymer chemistry , telechelic polymer , solvent , copolymer , materials science , chemistry , chemical physics , end group , physics , computer science , organic chemistry , aqueous solution , mathematics , computer network , statistics , astronomy
We present the results of numerical Monte Carlo simulations of solutions of telechelic chains with strongly attracting end‐groups. Formation of micelles (aggregates), their structure and structural characteristics of the system as a whole are studied in detail. The features revealed in computer experiments are qualitatively similar to the recent theoretical predictions. In particular, we show that micelles formed by telechelic chains attract each other even if the solvent is good for the soluble blocks forming micellar shells. As a result, A “micellar gel” structure with a number of chain “bridges” connecting micelles is formed. The bridging chains turn out to be significantly stretched. Furthermore, we observe a pronounced maximum in the wave‐vector dependence of the static structure factor for the associating end‐units which is a manifestation of a quasiperiodic pattern of alternating microdomains consisting of dense micellar cores and the swollen soluble chain blocks.