Binding Modes and Water-Mediation of Polyelectrolyte Adsorption to a Neutral CaCO3 Surface
Published in Langmuir, 2025
Recommended citation: Alec Glisman, Sriteja Mantha, Decai Yu, Eric Wasserman, Scott Backer, Larisa Reyes, and Zhen-Gang Wang. (2025). "Binding Modes and Water-Mediation of Polyelectrolyte Adsorption to a Neutral CaCO3 Surface." Langmuir. 40(49), 25931–25939. https://doi.org/10.1021/acs.langmuir.4c03301
Abstract
All-atom molecular dynamics investigation of poly(acrylic acid) adsorption onto neutral CaCO₃ surfaces, characterizing the competition between direct and water-mediated carboxylate-Ca²⁺ binding geometries. Results show that chain flexibility and local Ca²⁺ activity control the predominant binding mode, connecting molecular structure to macroscopic scale inhibition performance.
Recommended citation: Alec Glisman, Sriteja Mantha, Decai Yu, Eric Wasserman, Scott Backer, Larisa Reyes, and Zhen-Gang Wang. (2025). “Binding Modes and Water-Mediation of Polyelectrolyte Adsorption to a Neutral CaCO3 Surface.” Langmuir. 40(49), 25931–25939.