Coarse-Grained Parameters for Simulations of Methyl-Methacrylate-Based Polymer Brushes That Reproduce Experimental Swelling Coefficients
Vinicius Firmino dos Santos; Eduardo R. Almeida; Lucas Miguel Pereira Souza; André Silva Pimentel; Madeleine Ramstedt; Thereza A. Soares · 2025 · Macromolecules
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract
High Resolution Image Download MS PowerPoint Slide Polymer brushes exhibit unique structural and dynamic properties compared to free polymers due to their confined and tethered nature. While coarse-grained (CG) models for free polymers are well-established in the literature, their direct application to polymer brushes is limited. This is because brushes demonstrate distinct conformational behaviors, scaling laws, and responses to environmental stimuli that may not be accurately captured by models developed for free polymers. We have systematically evaluated chemically specific CG parameters wi
Abstract by Vinicius Firmino dos Santos; Eduardo R. Almeida; Lucas Miguel Pereira Souza; André Silva Pimentel; Madeleine Ramstedt; Thereza A. Soares, Macromolecules (2025) — licensed CC BY 4.0.
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Metadata source: OpenAlex · DOI 10.1021/acs.macromol.5c00273