Compare SWNT with SiC-NT in Removal Methyl Tert- Butyl Ether (MTBE)

Through its extensive use as a fuel oxygenate, methyl tert-butyl ether (mtbe) is found nearly ubiquitously throughout the environment. mtbe, a widely used gasoline additive, is recently being scrutinized for potential environmental damage in groundwater and in the atmosphere. select swnt and silicon carbide nanotubes sic-nt were shown to effectively remove methyl tert-butyl ether from air-water, are molecular-scale wires with high mechanical stiffness and strength. they can be metallic, semi conducting, or semi metallic, depending on its chirality. upon physical and chemical properties of this material easily vaporized and the air and soil distribution and are distributed.geometric structure optimized of mtbe, swnt and sic-nt were obtained by quantum mechanical (dft) on b3lyp6-31g and mont carlo simulation are based on a semi-empirical (mndo method), which is applied to the evaluation of electronic structure and of the conductance. we compared the structural, total energy, thermodynamic and conductive properties of mtbe passing through swnt and sic-nt. its results are showed this method, is exothermic, spontaneous, and favorable. swnt and sic-nt are used zigzag (12, 0) with 16.29 ao length, which in its 5.78 ao , the total energy is calculated lest amount that indicate the presence of trapped space for mtbe is in this place.