Recent developments concerning the dispersion of carbon nanotubes in surfactant/polymer systems by MD simulation

Carbon nanotubes (CNTs) hold the promise of delivering exceptional mechanical properties and multifunctional characteristics due to their unique physiochemical properties and prospective applications in various nanotechnologies. However, current techniques of CNTs fabrication cannot produce homogenous CNTs, and this prevents the widespread use of CNTs. Ever-increasing interest in applying CNTs in many different fields has led to continued efforts to develop dispersion and functionalization techniques. Techniques for separating bundles of CNTs into homogeneous dispersion are still under development. The preparation of effective dispersions of CNTs presents a major impediment to the extension and utilization of CNTs. CNTs intrinsically tend to bundle and/or aggregate. The prevention of such behavior has been explored by testing various techniques to improve the dispersibility of CNTs in a variety of solvents. There are mainly two approaches to obtain a good quality dispersion; chemical functionalization and physical interactions. The chemical functionalization technique has been found effective, but deteriorates the intrinsic properties of CNTs through the introduction of defects in the wall. Physical blending approaches with the ultrasound and high speed shearing have been proven capable of debundling CNTs and stabilizing individual CNTs while maintaining their integrity and intrinsic properties. Contemporary methods for dispersion of CNTs in aqueous media are discussed and most attention is paid to molecular dynamics simulation techniques and other physical techniques, as well as to the use of various surfactants and polymers.