Molecular Dynamics Study of Hydrated Poly(ethylene oxide) Chains Grafted on Siloxane Surface
Citations Over TimeTop 15% of 2011 papers
Abstract
In this work, hydrated poly(ethylene oxide) (PEO) chains composed of varying length N irreversibly grafted to an amorphous siloxane surface by one chain end at different coverage densities σ were studied using atomistic molecular dynamics simulations. We have assessed beginning of the extended overlapping chains (brush regime) at σ = 0.437 nm−2 and identified the mushroom-like conformation of nonoverlapping chains. For the studied systems, the specific interactions lead to density distributions different from the functions analytically derived for model systems. The brush regime demonstrates itself in the density distribution functions and the reduced height h/N evolution with σ. Since the latter dependence indicates h ∼ Nσ1/2 scaling, the brush regime corresponds to the situation of a concentrated aqueous PEO solution with a correlation length σ−1/2. The extrapolated thickness of PEO brushes reproduces experimental results fairly well. Water molecules prevent EO monomers from an adsorption to the siloxane surface.
Related Papers
- → Porous Siloxane–Organic Hybrid with Ultrahigh Surface Area through Simultaneous Polymerization–Destruction of Functionalized Cubic Siloxane Cages(2011)120 cited
- → Heat‐ and water‐proof quantum dot/siloxane composite film: Effect of quantum dot–siloxane linkage(2017)7 cited
- → Surface behavior of dilute blends of poly(vinyl chloride) with siloxane–urethane–ethyleneoxide oligomers(1995)6 cited
- 음식물류폐기물폐수의 혐기성 소화에서 바이오가스의 실록산 농도 특성(2011)
- 매립지 특성이 매립가스 내 siloxane 발생에 미치는 영향(2011)