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Molecular dynamics insights into polypropylene microplastics adsorption onto PDMS coated sponge
Guifang Liu1, Junyi Zhao1, Yuxi Zhao2
1College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin, 150001, China.
Environmental Pollution (Barking, Essex : 1987)
|June 28, 2025
Summary
This study shows a polydimethylsiloxane (PDMS) coated sponge effectively removes polypropylene (PP) microplastics (MPs). Molecular dynamics simulations reveal PP adsorption is driven by van der Waals forces, with PDMS methyl groups as key sites.
Area of Science:
- Environmental Science
- Materials Science
- Polymer Science
Background:
- Microplastics (MPs), particularly polypropylene (PP), represent a pervasive environmental contaminant.
- Understanding the interaction between MPs and surfaces is crucial for developing effective removal strategies.
- Polydimethylsiloxane (PDMS) is a versatile silicone polymer with potential applications in environmental remediation.
Purpose of the Study:
- To investigate the adsorption behavior of PP microplastics (MPs) on a PDMS surface.
- To evaluate the performance of a PDMS-coated sponge for MP removal from aquatic environments.
- To elucidate the molecular mechanisms governing PP adsorption onto PDMS using molecular dynamics (MD) simulations.
Main Methods:
- Experimental preparation of a PDMS-coated sponge.
- Testing the adsorption capacity and reusability of the PDMS-coated sponge for PP MPs.
- Conducting MD simulations to analyze PP adsorption dynamics, conformational changes, and interaction forces on the PDMS surface.
Main Results:
- The PDMS-coated sponge demonstrated excellent adsorption capacity for PP MPs, maintaining a 90.3% removal rate after 10 cycles.
- MD simulations showed PP MPs undergo significant conformational changes upon adsorption, flattening from a 3D to a 2D shape.
- Van der Waals interactions between PDMS and PP were identified as the primary driving force, with PDMS methyl groups being the dominant adsorption sites.
Conclusions:
- PDMS-coated sponges are a promising material for the efficient removal of PP microplastics from aquatic environments.
- MD simulations provide valuable insights into the adsorption mechanisms of MPs on polymer surfaces.
- The study contributes to the theoretical understanding of PP adsorption and offers a practical solution for MP pollution mitigation.
