Interfacial interactions in clay-based polymer nanocomposites: Effect of surfactant

Qinghua Zeng, Sabri M Mrayed, Aibing Yu

Research output: Chapter in Book/Report/Conference proceedingConference PaperResearchpeer-review

5 Citations (Scopus)


The nature of interface plays a very important role in the properties of nanoparticle-reinforced polymer nanocomposites. Understanding the interfacial interactions is crucial in further development of such nanocomposites. In this work, density functional theory is used to examine the interfacial interactions in the clay-nylon 6 nanocomposites. In particular, comparison has been made the systems in the absence of surfactant and in the presence of surfactant. It is found that surfactant can enhance the interfacial interactions through the formation of hydrogen bonds with clay surface and nylon 6. The interaction energies among the different components are calculated for the systems with clay of different atomic substitution.
Original languageEnglish
Title of host publicationProceedings of the 2010 International Conference on Material and Manufacturing Technology (ICCMT 2010)
EditorsXie Yi, Li Mi
Place of PublicationStafa-Zurich Switzerland
PublisherTrans Tech Publications
Pages607 - 611
Number of pages5
ISBN (Print)9780878492435
Publication statusPublished - 2010
Externally publishedYes
EventInternational Conference on Material and Manufacturing Technology 2010 - Chongqing, China
Duration: 17 Sep 201019 Sep 2010


ConferenceInternational Conference on Material and Manufacturing Technology 2010
Abbreviated titleICMMT 2010

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