Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers
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DOI: 10.1016/j.polymer.2017.03.007
Abstract: Abstract We have performed fully atomistic molecular dynamics simulations of aqueous solutions of a weak, pH-responsive polyelectrolyte, polyacrylic acid (PAA). Model oligomers of PAA of different tacticities, molecular weights, degrees of deprotonation, and deprotonation patterns… read more here.
Keywords: molecular dynamics; atomistic molecular; polyacrylic acid; model oligomers ... See more keywords