Permeability of a Zinc-Methacrylate-Based Self-Polishing Copolymer for Use in Antifouling Coating Materials by Molecular Dynamics Simulations
Abstract
:1. Introduction
2. Computational Details
2.1. Model Preparation
2.2. MD Simulations
3. Results and Discussion
3.1. SPC Density Analysis
3.2. H2O Solubility in SPC
3.3. H2O Permeability into SPC
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Agent | EA | MMA | 2-MTA | n-BMA | ZMA |
---|---|---|---|---|---|
Z2 (mol%) | 54 | 26 | 4 | 14 | 2 |
Z16 (mol%) | 54 | 12 | 4 | 14 | 16 |
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Kwon, S.H.; Lee, I.; Park, H.; Lee, S.G. Permeability of a Zinc-Methacrylate-Based Self-Polishing Copolymer for Use in Antifouling Coating Materials by Molecular Dynamics Simulations. Nanomaterials 2021, 11, 3141. https://doi.org/10.3390/nano11113141
Kwon SH, Lee I, Park H, Lee SG. Permeability of a Zinc-Methacrylate-Based Self-Polishing Copolymer for Use in Antifouling Coating Materials by Molecular Dynamics Simulations. Nanomaterials. 2021; 11(11):3141. https://doi.org/10.3390/nano11113141
Chicago/Turabian StyleKwon, Sung Hyun, Inwon Lee, Hyun Park, and Seung Geol Lee. 2021. "Permeability of a Zinc-Methacrylate-Based Self-Polishing Copolymer for Use in Antifouling Coating Materials by Molecular Dynamics Simulations" Nanomaterials 11, no. 11: 3141. https://doi.org/10.3390/nano11113141