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Title: Dependence of aggregation behavior on concentration in triblock copolymer solutions: The effect of chain architecture

Abstract

Using the self-consistent field lattice technique, the effects of concentration and hydrophobic middle block length (where the chain length remains constant) on aggregation behavior are studied in amphiphilic symmetric triblock copolymer solutions. The heat capacity peak for the unimer-micelle transition and the distribution peaks for the different degrees of aggregation for micelles and small aggregates (submicelles) are calculated. Analysis of the conducted computer simulations shows that the transition broadness dependence on concentration is determined by the hydrophobic middle block length, and this dependence is distinctly different when the length of the hydrophobic middle block changes. Different size for small aggregates simultaneously appear in the transition region. As temperature decreases, the number of different size small aggregates for the large hydrophobic middle block length first ascends and then descends in aggregation degree order. These results indicate that any transition broadness change with concentration is related to the mechanism of fragmentation and fusion. These results are helpful for interpreting the aggregation process of amphiphilic copolymers at equilibrium.

Authors:
;  [1]
  1. Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resources School of Mathematics, Physics and Biological Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China)
Publication Date:
OSTI Identifier:
22493297
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AGGLOMERATION; COMPUTERIZED SIMULATION; CONCENTRATION RATIO; COPOLYMERS; EQUILIBRIUM; FRAGMENTATION; SELF-CONSISTENT FIELD; SOLUTIONS; SPECIFIC HEAT; SYMMETRY

Citation Formats

Han, Xiang-Gang, and Zhang, Xue-Feng. Dependence of aggregation behavior on concentration in triblock copolymer solutions: The effect of chain architecture. United States: N. p., 2015. Web. doi:10.1063/1.4936581.
Han, Xiang-Gang, & Zhang, Xue-Feng. Dependence of aggregation behavior on concentration in triblock copolymer solutions: The effect of chain architecture. United States. https://doi.org/10.1063/1.4936581
Han, Xiang-Gang, and Zhang, Xue-Feng. 2015. "Dependence of aggregation behavior on concentration in triblock copolymer solutions: The effect of chain architecture". United States. https://doi.org/10.1063/1.4936581.
@article{osti_22493297,
title = {Dependence of aggregation behavior on concentration in triblock copolymer solutions: The effect of chain architecture},
author = {Han, Xiang-Gang and Zhang, Xue-Feng},
abstractNote = {Using the self-consistent field lattice technique, the effects of concentration and hydrophobic middle block length (where the chain length remains constant) on aggregation behavior are studied in amphiphilic symmetric triblock copolymer solutions. The heat capacity peak for the unimer-micelle transition and the distribution peaks for the different degrees of aggregation for micelles and small aggregates (submicelles) are calculated. Analysis of the conducted computer simulations shows that the transition broadness dependence on concentration is determined by the hydrophobic middle block length, and this dependence is distinctly different when the length of the hydrophobic middle block changes. Different size for small aggregates simultaneously appear in the transition region. As temperature decreases, the number of different size small aggregates for the large hydrophobic middle block length first ascends and then descends in aggregation degree order. These results indicate that any transition broadness change with concentration is related to the mechanism of fragmentation and fusion. These results are helpful for interpreting the aggregation process of amphiphilic copolymers at equilibrium.},
doi = {10.1063/1.4936581},
url = {https://www.osti.gov/biblio/22493297}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 21,
volume = 143,
place = {United States},
year = {Mon Dec 07 00:00:00 EST 2015},
month = {Mon Dec 07 00:00:00 EST 2015}
}