Hydrogen Bonding Aggregation in Acrylamide: Theory and Experiment

Patyukova, E., Rottreau, T., Evans, R. , Topham, P. D. and Greenall, M. J. (2018) Hydrogen Bonding Aggregation in Acrylamide: Theory and Experiment. Macromolecules, 51 (18). pp. 7032-7043. ISSN 0024-9297

Full content URL: http://doi.org/10.1021/acs.macromol.8b01118

Hydrogen bonding aggregation in acrylamide: theory and experiment
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Hydrogen bonding plays a role in the microphase separation behavior of many block copolymers, such as those used in lithography, where the stronger interactions due to hydrogen bonding can lead to a smaller period for the self-assembled structures, allowing the production of higher resolution templates. However, current statistical thermodynamic models used in descriptions of microphase separation, such as the Flory–Huggins approach, do not take into account some important properties of hydrogen bonding, such as site specificity and cooperativity. In this combined theoretical and experimental study, a step is taken toward the development of a more complete theory of hydrogen bonding in polymers, using polyacrylamide as a model system. We begin by developing a set of association models to describe hydrogen bonding in amides. Both models with one association constant and two association constants are considered. This theory is used to fit IR spectroscopy data from acrylamide solutions in chloroform, thereby determining the model parameters. We find that models with two constants give better predictions of bond energy in the acrylamide dimer and more realistic asymptotic behavior of the association constants in the limit of high temperatures. At the end of the paper, we briefly discuss the question of the determination of the Flory–Huggins parameter for a diblock copolymer with one self-associating hydrogen bonding block and one non-hydrogen bonding block by means of fitting the scattering function in a disordered state.

Additional Information:The final published version of this article can be accessed online at https://pubs.acs.org/doi/10.1021/acs.macromol.8b01118
Keywords:Hydrogen Bonding, Polymers
Subjects:F Physical Sciences > F320 Chemical Physics
Divisions:College of Science > School of Mathematics and Physics
ID Code:33147
Deposited On:10 Sep 2018 13:05

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