The Olefin aromatization is an important method for the upgrade of catalytic cracking (FCC) gasoline and production of fuel oil with high octane number. The nano-ZSM-5 zeolite was synthesized via a seed-induced method, a series of modified nano-ZSM-5 zeolite samples with different Ga deposition amount were prepared by Ga liquid deposition method. The XRD, N₂ physical adsorption, SEM, TEM, XPS, H₂-TPR and Py-IR measurements were used to characterize the morphology, textural properties and acidity of the modified ZSM-5 zeolites. The catalytic performance of the Hexene-1 aromatization was evaluated on a fixed-bed microreactor. The effects of Ga modification on the physicochemical and catalytic performance of nano-ZSM-5 zeolites were investigated. The Ga species in the modified nano-ZSM-5 zeolites mainly exist as the form of Ga₂O₃ and GaO⁺, which provide strong Lewis acid sites. The aromatics selectivity over Ga modified nano-ZSM-5 zeolite in the Hexene-1 aromatization was significantly increased, which could be attributed to the improvement of the dehydrogenation activity. The selectivity for aromatics over the Ga4.2/NZ5 catalyst with suitable Ga deposition amount reached 55.4%.

The electrospinning precursor solution was prepared by dissolving polyvinyl pyrrolidone as template, tetrabutyl titanate as titanium source, and acetic acid as inhibitor. The TiO₂ nanofilms were prepared by precursor solution electrospinning and subsequent calcination. Thermal gravimetric analysis (TG), scanning electron microscopy (SEM), X-ray powder diffraction (XRD), and transmission electron microscopy (TEM) were used to characterize and analyze the samples. The influence of technological parameters on spinning fiber morphology was also studied. The results indicate that the TiO₂ nanofibers morphology is good when the parameters are as follows: voltage 1.4×10⁴ V，spinning distance 0.2 m，translational velocity 2.5×10^-3 m·s^-1, flow rate 3×10^-4 m·s^-1, and needle diameter 3×10^-4 m. The diameter of the fibers is about 150 nm. With the 1×10^-4 mol·L^-1 methylene blue solution used as simulated degradation target, the degradation rate is 95.8% after 180 minutes.

First principles simulation studies using the density functional theory have been performed on (9, 0) Zigzag Singlewalled Carbon Nanotube (SWCNT) to investigate its electronic, optical and thermodynamic properties using CASTEP (Cambridge Sequential Total Energy Package) and DFTB (Density Functional based Tight Binding) modules of the Material Studio Software version 7.0. Various functionals and sub-functionals available in the CASTEP Module (using Pulay Density Mixing treatment of electrons) and various eigen-solvers and smearing schemes available in the DFTB module (using smart algorithm) have been tried out to chalk out the electronic structure. The analytically deduced values of the band gap obtained were compared with the experimentally determined value reported in the literature. By comparison, combination of Anderson smearing scheme and standard diaogonalizer produced best results in DFTB module while in the CASTEP module, GGA (General Gradient approximation) functional with RPBE (Revised-perdew-Burke-Ernzerh) as Sub-functional was found to be the most consistent. These optimized parameters were then used to determine various electronic, optical and thermodynamic properties of (9, 0) Singlewalled Nanotube. (9, 0) Singlewalled Nanotube, which is extensively being used for sensing NH₃, CH₄ & NO₂, has been picked up in particular as it is reported to exhibit a finite energy band gap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies.