We can't find the internet
Attempting to reconnect
Something went wrong!
Hang in there while we get back on track
Molecular dynamics insights into polypropylene microplastics adsorption onto PDMS coated sponge
Summary
Researchers developed a sponge coated with a silicone-based material (PDMS) that can effectively capture polypropylene microplastics from water, maintaining a 90% removal rate even after 10 cycles of use. Using molecular simulations, they discovered that the microplastics flatten and spread across the sponge surface during adsorption, driven primarily by van der Waals forces between the plastic and silicone. This approach offers a promising, reusable tool for removing microplastics from contaminated water.
Microplastics (MPs) pose a significant threat to the environment and human health. This study investigates the adsorption behavior of polypropylene (PP) MPs on polydimethylsiloxane (PDMS) surface using experiments and molecular dynamics (MD) simulations. We prepared a PDMS coated sponge with excellent adsorption capacity of PP, which still achieved a removal rate of 90.3 % after 10 cycles of use. MD simulations revealed that PP underwent significant conformational changes during adsorption, transitioning from a three-dimensional ellipsoidal shape to a two-dimensional elliptical disk, with negligible influence from the PDMS surface hydration layer. The spontaneous adsorption process was primarily driven by van der Waals interaction between the surface of PDMS and PP, and the methyl groups of PDMS were the dominant adsorption sites for PP. These findings enriched the theory of PP adsorption based on MD simulation analysis and provided a promising adsorption material for MPs removal from aquatic environments.
Sign in to start a discussion.
More Papers Like This
Insights into the adsorption of ibuprofen onto polyethylene microplastics using molecular dynamic simulation
Researchers used molecular dynamics simulations combined with laboratory experiments to study how ibuprofen adsorbs onto polyethylene microplastics in water. The study found that van der Waals forces dominate the interaction, with microplastics achieving an adsorption capacity of 0.41 mg/g for ibuprofen, suggesting that microplastics can act as carriers for pharmaceutical pollutants in aquatic environments.
Adsorption in Action: Molecular Dynamics as a Tool to Study Adsorption at the Surface of Fine Plastic Particles in Aquatic Environments
Researchers used molecular dynamics simulations to study how pollutants attach to the surface of microscopic plastic particles in water at the atomic level. They found that the type of plastic material and the specific pollutant involved significantly influenced the strength and nature of the adsorption process. The study demonstrates that computer simulations can complement traditional lab experiments to better understand how microplastics interact with contaminants in aquatic environments.
Superhydrophobic Materials and Intermolecular Forces for Microplastics Removal
This review examines the use of superhydrophobic materials—sponges, meshes, and particulate materials—for removing microplastics from water, highlighting their near-100% removal efficiency enabled by unique wetting properties. It identifies superhydrophobic materials as particularly promising for capturing small microplastic particles that conventional methods struggle to remove.
Combined experimental and molecular dynamics removal processes of contaminant phenol from simulated wastewater by polyethylene terephthalate microplastics
Researchers examined how polyethylene terephthalate (PET) microplastics adsorb phenol from wastewater, finding that aged PET had the best removal efficiency while modified PET had the highest maximum adsorption capacity, with molecular dynamics simulations confirming the mechanisms involved.
Mechanically durable anti-bacteria non-fluorinated superhydrophobic sponge for highly efficient and fast microplastic and oil removal
A superhydrophobic sponge was engineered to selectively remove microplastics and oil from water, achieving high removal efficiency while also demonstrating antibacterial properties. The material maintained its performance across repeated use cycles, offering a promising approach for practical water treatment applications.