Article ID Journal Published Year Pages File Type
4953071 Journal of Molecular Graphics and Modelling 2017 34 Pages PDF
Abstract
Using explicit atomistic molecular dynamics simulations it is shown that self-association of PEA chains in water occurs in dilute solution in the charge density range 0 < f < 0.7, and beyond f = 0.7 the chains separate out, in agreement with experimental observations. Self-association is driven by inter-chain h-bonding interaction between COOH groups.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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