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Adhesion

Adhesion

Adhesion occurs when one type of molecule is attracted to a different molecule. Water exhibits adhesive properties in the presence of polar surfaces, such as glass or cellulose in plants. For instance, when water is poured into a glass, the positively charged hydrogen molecules of water are more attracted to the negatively charged oxygen molecules in the silica than to the oxygen in neighboring water molecules.
Capillary action is a result of water’s adhesive tendencies. When a narrow...

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Related Experiment Video

Updated: Apr 1, 2026

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

Published on: February 27, 2015

A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene

Sousa Javan Nikkhah¹, Mohammad Reza Moghbeli, Seyed Majid Hashemianzadeh

¹School of Chemical Engineering, Iran University of Science and Technology (IUST), P.O. Box 16844-13114, Tehran, Iran.

Physical Chemistry Chemical Physics : PCCP

|October 1, 2015

Summary

Functionalizing polyethylene (fPE) and graphene (fG) surfaces with various groups enhances their adhesion. Interface relaxation significantly improves bonding by reducing roughness and increasing density, boosting van der Waals interactions.

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Area of Science:

Materials Science
Computational Chemistry
Polymer Science

Background:

Interfacial adhesion is critical for composite material performance.
Functionalization of polymer and graphene surfaces offers a route to enhance interfacial properties.
Understanding the role of surface morphology and functional groups is key to designing advanced materials.

Purpose of the Study:

To investigate the interfacial adhesion between functionalized polyethylene (fPE) and functionalized graphene (fG) using molecular dynamics simulations.
To evaluate the impact of surface functionalization and interface relaxation on adhesion properties.
To elucidate the mechanisms governing adhesion, including atomic roughness and electronic effects.

Main Methods:

Molecular dynamics (MD) simulations were employed to model fPE/fG interfaces.
Work of separation (Wsep) was calculated for unrelaxed interfaces to assess initial adhesion.
Work of adhesion (Wadh) was computed for relaxed interfaces to study the effect of surface reorganization.
Various functional groups were covalently bonded to PE and graphene surfaces.

Main Results:

Adhesion was influenced by the interplay of atomic roughness and the electronic properties of functional groups.
Interface relaxation led to a decrease in PE surface roughness, enhancing adhesion in all simulated systems.
Surface relaxation increased atomic density at the interface, strengthening van der Waals interactions and overall adhesion.

Conclusions:

Surface functionalization strategies are effective in tailoring fPE/fG interfacial adhesion.
Interface relaxation is a crucial factor that significantly improves adhesion by optimizing surface morphology and density.
The findings provide insights into designing robust fPE/fG interfaces for advanced composite applications.