Computational simulation of binary compounds of carbon nanotubes and amphiphilics in aqueous solution by Monte Carlo method

► Separation of carbon nanotube from bundles by use of amphiphilic in aqueous solution. ► Metropolis algorithm Monte Carlo Simulation using a bi-dimensional off-lattice model. ► Structure function and FFT reveals amphiphilic configurations around nanotubes. ► Concentrations defines carbon nanotubes detachment confirming experimental results.