Trends in Pka of Oligomers of Acrylic Acid

Oligomers of acrylic acids find diverse applications in bioseparations and catalysis.By utilizing the thermodynamic cycle of acid deprotonation, we performed Ab initio calculations to determine the pKa of an acrylic acid oligomer based on its conformation, tacticity, the number of carboxylic acid groups, and the charges on the conjugated acid-base pair.