Author/Authors :
Rungrotmongkol، نويسنده , , Thanyada and Arsawang، نويسنده , , Uthumporn and Iamsamai، نويسنده , , Chularat and Vongachariya، نويسنده , , Arthit and Dubas، نويسنده , , Stephan T. and Ruktanonchai، نويسنده , , Uracha and Soottitantawat، نويسنده , , Apinan and Hannongbua، نويسنده , , Supot، نويسنده ,
Abstract :
In order to explain the solubility of carbon nanotubes (CNT), including single walled CNTs, wrapped with chitosan of a 60% degree of deacetylation, MD simulations were applied to represent three chitosan concentrations, using two pristine CNTs (pCNT–pCNT), and one and two CNTs wrapped (pCNT–cwCNT and cwCNT–cwCNT). The CNT aggregation was observed in pCNT–pCNT and pCNT–cwCNT due to van der Waals interactions between tube–tube aromatic rings, and inter-CNT bridging by chitosan, respectively. At higher chitosan concentrations, such that most to all of CNTs were wrapped with chitosan, charge–charge repulsion was found to separate robustly the cwCNTs and lead to a well dispersed solution.
