IR spectra of entrance and exit channels of methane and radical oxygen reaction are predicted in the ground state energy. Ab initio calculations at perturbation theory (MP2) with Dunning correction- consistent basis set (aug-cc-pVDZ) have been used. The calculations predicted structures, vibrational frequencies and potential energy surface. Three van der Waals minima from three adiabatic potential energy surfaces have been predicted in entrance and exit channels. Vibration frequency of 3209 cm-1 and 3212 cm-1 of C-H stretching in entrance structures are predicted while O-H vibrational frequency is predicted to be at 3673 cm-1 in the other channel. The lowest energy structure in entrance channel has - 0.18 kJ/ mol minimum energy.
The ground state densities of unstable neutron-rich 8He and 17B exotic nuclei are studied via the framework of the two-frequency shell model (TFSM) and the binary cluster model (BCM). In TFSM, the single particle harmonic oscillator wave functions are used with two different oscillator size parameters βc and βv where the former is for the core (inner) orbits and the latter is for the valence (halo) orbits. In BCM, the internal densities of the clusters are described by single particle Gaussian wave functions. Shell model calculations for the two valence neutrons in 8He and 17B are performed via the computer code OXBASH. The long tail performance is clearly noticed in the calculated neutron and matter density distributions of these nucl
... Show MoreCognitive stylistics also well-known as cognitive poetics is a cognitive approach to language. This study aims at examining literary language by showing how Schema Theory and Text World Theory can be useful in the interpretation of literary texts. Further, the study attempts to uncover how readers can connect between the text world and the real world. Putting it differently, the study aims at showing how the interaction between ‘discourse world’ and ‘text world’. How readers can bring their own experience as well as their background knowledge to interact with the text and make interpretive connections. Schema and text world theories are useful tools in cognitive stylistic studies. The reader's perception o
... Show MoreCognitive stylistics also well-known as cognitive poetics is a cognitive approach to language. This study aims at examining literary language by showing how Schema Theory and Text World Theory can be useful in the interpretation of literary texts. Further, the study attempts to uncover how readers can connect between the text world and the real world. Putting it differently, the study aims at showing how the interaction between ‘discourse world’ and ‘text world’. How readers can bring their own experience as well as their background knowledge to interact with the text and make interpretive connections.
Schema and text world theories are useful tools in cognitive stylistic stud
... Show MoreThis work aims to analyse the dynamic behaviours of the forest pest system. We confirm the forest pest system in plane for limit cycles bifurcating existence from a Hopf bifurcation under certain conditions by using the first Lyapunov coefficient and the second-order of averaging theory. It is shown that all stationary points in this system have Hopf bifurcation points and provide an estimation of the bifurcating limit cycles.
The esterification reaction of ethyl alcohol and acetic acid catalyzed by the ion exchange resin, Amberlyst 15, was investigated. The experimental study was implemented in an isothermal batch reactor. Catalyst loading, initial molar ratio, mixing time and temperature as being the most effective parameters, were extensively studied and discussed. A maximum final conversion of 75% was obtained at 70°C, acid to ethyl alcohol mole ratio of 1/2 and 10 g catalyst loading. Kinetic of the reaction was correlated with Langmuir-Hanshelwood model (LHM). The total rate constant and the adsorption equilibrium of water as a function of the temperature was calculated. The activation energies were found to be as 113876.9 and -49474.95 KJ per Kmol of ac
... Show MoreA numerical investigation is adopted for two dimensional thermal analysis of rocket thrust chamber wall (RL10), employing finite difference model with iterative scheme (implemented under relaxation factor of 0.9 for convergence) to compute temperature distribution within thrust chamber wall (which is composed of Nickel and Copper layers). The analysis is conducted for different boundary conditions: only convection boundary conditions then combined radiation, convection boundary conditions also for different aspect ratio (AR) of cooling channel. The results show that Utilizing cooling channels of high aspect ratio leads to decrease in temperature variation across thrust chamber wall, while no effects on heat transferred to the
... Show MoreA numerical investigation has been performed to examine the effect of fluorine concentration on the chain reaction mechanisms and parameters of hydrogen fluoride (HF) chemical laser. The practical difficulties associated with this type of lasers impose that an alternative route might be quite useful. Thus, particular attention was paid to develop a computer program to investigate various processes. The results of this computer simulation program proved their credibility when compared with the little published data. This computer program is called Reaction Rate Simulation Model (RRSM). An entirely new approach to emulate the reaction mechanisms has been followed. The effectiveness of reaction rates in the processes of HF lase
... Show MoreOne of most the important compounds which have active hydrogen (substrate) is the thiols which used in a wide field in preparation of Mannich bases . A large number of Mannich bases have been prepared as a biologically active compound (pharmaceutical, pesticides, bactericidal, fungicidal and tuberculostatic) and in order to correlate their structure and reactivity with their pharmacological activity such as . It has been reported that the reaction is easily proceeded by using primary and secondary amine beside formaldehyde. But when we tried the reaction of thiols as substrate and formaldehyde and succinimide instead of amine, the reaction did not proceed to give Mannich base but product were methylenene – bis – sulfide . Mann
... Show MoreIn this study, the development of an indirect spectrophotometric method for the determination of folic acid in pure and pharmaceutical preparations is described. The method is based on the oxidation of pyrocatechol with iron (III) in an acidic medium, followed by the reaction with folic acid (FA) to produce a stable, water-soluble orange compound with maximum absorption at 350 nm versus the blank reagent. The complex of charge transfer was studied under optimal conditions; the titration graph was linear over the range of 0.5-25 μg/mL with a relative error of 1.2-2.8 and a relative standard deviation of 2.43-1.45 depending on the concentration level.