Calculations on solvents and co-solvents of single-wall carbon nanotubes:: cyclopyranoses

The (10, 10) single-wall carbon nanotube (SWNT) presents consistency between relatively small solubility, and large partition coefficients and kinetic stability. The solubility of SWNTs is investigated in a variety of solvents, finding a class of non-hydrogen-bonding Lewis bases that provides good solubility. The organic solvent-water partition and hydrophobic moment of lysozyme show that the main contribution to the water-accessible surface area of helices is the hydrophobic term, while the hydrophilic part dominates in the sheet, which is related to the 1-octanol-, cyclohexane- and chloroform-water partition coefficients Po-ch-cf of helices, which are greater than those of the sheet. The molecular lipophilicity pattern differentiates among helices, sheet and binding site.