Dispersing carbon nanotubes in aqueous solutions by a silicon surfactant: Experimental and molecular dynamics simulation study |
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Authors: | Jinyu Pang Guiying Xu Shiling Yuan Yebang Tan Fang He |
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Affiliation: | aKey Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100, PR China |
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Abstract: | The dispersion effect of carbon nanotubes (CNTs) in aqueous solutions by a silicon surfactant (ethoxy modified trisiloxane, named Ag-64) was investigated in detail using experimental method and molecular dynamics simulation. The Si–O–Si chain of silicon surfactant was flexible due to long Si–C bond and it could easily wrap onto the surface of CNTs through hydrophobic and other intermolecular interactions. The hydrophilic part of PEO provided the CNTs dispersed in the aqueous solution and prevented CNTs from aggregating in water through steric stabilization. It was found that Ag-64 could disperse CNTs with different diameters and it was an effective dispersing agent. The results of molecular dynamics simulation indicated that Ag-64 molecules could wrap onto the surface of CNTs leading to steric stabilization so that it could well disperse CNTs, and Van der Waals attraction was the dominating force of Ag-64 adsorbing onto CNTs. Our study may provide experimental and theoretical basis for using silicon surfactants to disperse CNTs, which can open the avenue of new applications for silicon surfactants. |
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Keywords: | CNTs Silicon surfactant Disperse MD simulation |
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