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.
In this study, the effect of porogenic solvents on pore size distribution of the polycaprolactone (PCL) thin films was investigated. Five thin PCL films were prepared using the solvent-casting method. Chloroform, Methylene Chloride (MC) and three different compositions of MC/ Dimethylformamide (DMF) (80/20, 50/50 and 20/80) were used as solvents. Scanning Electron Microscopy (SEM) investigations were employed to study morphology and consequently the pore size distribution of the prepared films. The PCL films made by chloroform and MC as a solvent were completely non-porous. Whereas the other films (made by a combination of MC and DMF) showed both uni-modal and bi-modal pore size distributions.
This work evaluates the physical and physical-chemical parameters of the strawberry variety “Festival”, obtained in the soil and climate conditions of Humpata, Huila Province, Angola, following the transformation into sweet of adequate quality. The analyses made were: the mass determined on an analytical balance and the transversal and longitudinal diameters with a pachymeter. Other analyses were: total titratable acidity by volumetry, pH by potentiometry, total soluble solids by refractometry, moisture and ash by gravimetry. The study showed that the pH of the pulp was 3.41; and in the candy it was 3.31. The titratable acidity in the strawberry pulp had a value of 0.186 g/100 mL and in the jam 0.096 g/100 mL; the ascorbic acid content in the pulp was 18.60 mg∕100 g. The average soluble solids content in the pulp was 9.51 °Brix and for the jam 68.83 °Brix. These chemical characteristics of the pulp and jam provide information about their nutritional values.
The Lancaster mutual teaching model originated in late 18th century England and quickly spread to the American colonies after receiving positive responses in Europe. In the 1820s, renowned Spanish physician, educator, and publisher Manuel Codorniú Ferreras brought it to Mexico, making outstanding contributions to the newly independent nation in educational philosophy, system, and methods. In the mid-19th century, with the absence of a centralized institution for public education in Mexico, the Lancaster Company took on the significant responsibility of guiding the direction of national public education development. Although this function did not persist for too long due to political changes in Mexico, the educational system continued to play an important role in the Mexican education sector. The Lancaster Company and its teaching system exerted a positive and profound influence on the democratization and secularization of education in Mexico, laying important foundations for the modernization and reform of Mexican education.
We investigate the impact on intertemporal distribution caused by a change of policy from tax to deficit financing of public investment, using a simple theoretical framework which combines the one-period McGuire-Olson economy with the conventional long-run Solow economy. This theoretical framework provides a simple way to highlight some significant interdependencies between private and public investments as well as the negative impact of taxation on aggregate productivity, and to trace some possible transmission mechanisms between deficit financing policies and the long-run path of consumption per head. The main tentative (theoretical) result is that although under fairly acceptable assumptions the likely impact of a deficit financing policy is to benefit the present at the expense of the future, under equally acceptable assumptions concerning the possibility of an excessive macro private saving–investment propensity, and/or of a significant productivity loss due to the excess burden of taxation, the adverse intertemporal distributional impact of deficit financing might become negligible, or even disappear altogether.
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