Ali Najafi

Theoretical investigation of methane adsorption onto boron nitride and carbon nanotubes

Abstract Methane adsorption onto single-wall boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) was studied using the density functional theory within the generalized gradient approximation. The structural optimization of several bonding configurations for a CH4 molecule approaching the outer surface of the (8,0) BNNT and (8,0) CNT shows that the CH4 molecule is preferentially adsorbed onto the CNT with a binding energy of −2.84 kcal mol−1. A comparative study of nanotubes with different diameters (curvatures) reveals that the methane adsorptive capability for the exterior surface increases for wider CNTs and decreases for wider BNNTs. The introduction of defects in the BNNT significantly enhances methane adsorption. We also examined the possibility of binding a bilayer or a single layer of methane molecules and found that methane molecules preferentially adsorb as a single layer onto either BNNTs or CNTs. However, bilayer adsorption is feasible for CNTs and defective BNNTs and requires binding energies of −3.00 and −1.44 kcal mol−1 per adsorbed CH4 molecule, respectively. Our first-principles findings indicate that BNNTs might be an unsuitable material for natural gas storage.

Mechatronic control of a composite shell containing fluid

In this paper, boundary control of a composite shell vibrations containing fluid (partially filled with a fluid) is studied. The linear boundary control laws consisting of forces and moments from the boundaries of the composite shell stabilize the vibrations. The fluid has free surface and boundary stabilization is attained without using in domain attached actuators. This research utilizes semigroup techniques and LaSalle invariant set theorem to prove the boundary stabilization.

Fabrication and characterization of novel semolina-based antimicrobial films derived from the combination of ZnO nanorods and nanokaolin

This study aimed to provide novel biopolymer-based antimicrobial films as food packaging that may assist in reducing environmental pollution caused by the accumulation of synthetic food packaging. The blend of ZnO nanorods (ZnO-nr) and nanokaolin in different ratios (1:4, 2:3, 3:2 and 4:1) was incorporated into semolina, and nanocomposite films were prepared using solvent casting. The resulting films were characterized through field-emission scanning electron microscopy and X-ray diffraction. The mechanical, optical, physical, and antimicrobial properties of the films were also analyzed. The water vapor permeability of the films decreased with increasing ZnO-nr percentage, but their tensile strength and modulus of elasticity increased with increasing nanokaolin percentage. The UV transmittance of the semolina films were greatly influenced by an increase in the amount of ZnO-nr. The addition of ZnO-nr: nanokaolin at all ratios (except 1:4) into semolina reduced UV transmission to almost 0%. Furthermore, the ZnO-nr/nanokaolin/semolina films exhibited a strong antimicrobial activity against Staphylococcus aureus. These properties suggest that the combination of ZnO-nr and nanokaolin are potential fillers in semolina-based films to be used as active packaging for food and pharmaceuticals.