Browsing Chemistry by Title
Now showing items 81-100 of 106
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Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Piperidin-4-One Derivatives in 1 M H3PO4
(Scientific Research, 2014-12)The corrosion inhibition properties of 2,6-diphenylpiperidin-4-one (DPP) (1A) and 2,6-diphenyldihydro-2H-thiopyran-4(3H)-one (DPDT) (1B) for mild steel in 1 M phosphoric acid were studied using weight loss, potentiodynamic ... -
Quantum Mechanical Modeling of Fluoromethylated-pyrrol Derivatives a Study on their Reactivities, Structures and Vibrational Properties
(2014-02)In this work, the structural and vibrational properties of 1-5-(difluoromethyl-1H-pyrrol-2-yl-) ethanone (DFPE) were studied by using the hybrid B3LYP/6-31G* method. The properties were analyzed and compared with those ... -
Quantum Mechanical Study on the Effect of Solvent in the Properties of Benzophenone
(2017-09)The effect of solvents on spectroscopic properties of benzophenone is analyzed using DFT/6-311G method. The data on effect of solvents is used to estimate excited state dipole moment using the theoretically determined ... -
The Relation between the Heat of Melting Point, Boiling Point, and the Activation Energy of Self-Diffusion in Accordance with the Concept of Randomized Particles
(Scientific Research, 2014-11)On the example of typical metals, it’s found that the activation energy of self-diffusion is above of the melting heat and below of vaporization heat. This corresponds to the existence of liquid-mobile particle classification ... -
Response of CR-39 Polymer Radon-Sensors via Monte-Carlo Modelling and Measurements
(2014-05)International studies of radon indoors and in workplaces have shown significant radiation dose burden of the general population due to inhalation of radon (222Rn) and its short-lived progeny (218Po,214Pb, 214Bi, 214Po). ... -
The Role of Hole Traps in DNA
(2014-07)Two types of whole trap have been discussed for DNA. One type was introduced by Reynaud et al. (Jour. Am. Chem. Soc. 2013, 135, 3953) to account for the properties of whole conduction in an adeninethymine (AT) DNA. In their ... -
Simplified Step-by-Step Nonlinear Static Program Investigating Equilibrium Conditions of Electrons in Atom and Ionization Energies: Case Study on Argon
(Scientific Research, 2018-05)For investigation of equilibrium conditions of electrons in an atom, and Ionization Energies of Elements, a simplified deterministic static model is proposed. The electrons are initially uniformly and sparsely arranged ... -
Solvent Effects on the UV Absorption Spectrum of Carmofur
(Scientific Research Publishing, 2016-01)In this article, we reported that carmofur could be induced by some solvent to produce conformational alteration. Ultraviolet (UV) spectra were used to study the conformation alteration of carmofur. Upon the addition of ... -
Specific Heat of Solution of HCl-NaOH Reaction by a Simple Handmade Calorimeter
(2017-12)A research study was performed by couple of students under the research project of bachelor in chemistry. The main goal to perform this project was to determine the changes in temperature of solution when an acid and a ... -
A Specific Periodic Table for Chemistry of Organic, Semi-Organic and Inorganic Elements: Compatibility with the Even-Odd Rule,the Number of Electrons and the Isoelectronicity Rule
(Scientific Research, 2018-05)Following the introduction of the new even-odd and isoelectronic rules and definitions affecting the understanding of electronic structure and bonds, the author has thought necessary to summarize understandings in the ... -
Structure-Function Relationship of a Gellan Family of Polysaccharide, S-198 Gum, Produced by Alcaligenes ATCC31853
(Scientific Research Publishing, 2016-05)The structure-function relationship of a gellan family of polysaccharides, S-198 gum produced by Alcaligenes ATCC31853 was investigated in terms of rheological aspects. The flow curves of S-198 gum showed plastic behavior ... -
Study the Attenuation Coefficient of Granite to Use It as Shields against Gamma Ray
(Scientific Research Publishing, 2016-04)The present work investigates the linear and mass attenuation coefficients for gamma rays practically and theoretically by using spectroscopy gamma ray (UCS-20) and program (XCOM)) for various types of common use granite, ... -
Studying Different Etching Methods Using CR-39 Nuclear Track Detector
(Scientific Research Publishing, 2016-07)In this research we try to investigate the optimum etching time for the tracks originate in (CR-39) solid state nuclear track detector after irradiated with alpha source (241Am) using three different etching techniques: ... -
Synthesis and Modification of Carboxylated Multi Wall Nanotubes with Atenolol
(Scientific Research, 2014-07)In this paper functionalized multiwall carbon nanotubes (FMWCNT) were modified using atenolol as a class of drugs that were used in cardiovascular diseases containing reactable nitrogen, which could attach chemically to ... -
Synthesis of Luminescent CdTe Nanorods on Anodized Aluminum Oxide Template and Their Utility in Divalent Heavy Metal Ion Sensing
(Scientific Research, 2014-07)A simple one-pot hydrothermal method to grow luminescent CdTe nanorods on porous anodized aluminum oxide (AAO) template is described. These CdTe nanorods on the AAO template were further applied as an optical probe to ... -
Theoretical Insight into the Structure, Energetic Property and Thermal Stability of C6N6H12 Cages
(2016-11)Recent theoretical studies have identified carbon-nitrogen cages are potentially stable high energy density materials. Two such C6N6H12 cages were proposed and investigated using the density functional theory comparison ... -
Theoretical Treatment of Ion Stopping in Complex Systems
(2014-08)The sort of materials treated by theoretical methods in physics has changed radically in recent years, from small molecules and biomolecules, as well as perfect solids and gasses at zero temperature, to much more complex ... -
Thermodynamic and Kinetic Studies of Powerful Eco Friendly Green Inhibitors; Costus afer, Uvaria chamae and Xylopia aethiopia for the Control of Mild Steel Corrosion in HCl Solution.
(2018-01)The inhibitive action of the methanol extracts of three powerful eco-friendly green Inhibitors; Costus afer (COA), Uvaria chamae (UVC), and Xylopia aethiopica (XYA) leaves on the corrosion of mild steel in 2.5 M HCl solutions ... -
Thermodynamics of CO2 Adsorption on Polyethyleneimine Mesoporous Silica and Activated Carbon
(2017-03)A thermodynamic study of the enthalpies of adsorption of CO2 was conducted on polyethyleneimine 10k/ mesoporous silica (PEI-10k/MPS) and activated carbon (AC). These materials were chosen because of their high CO2 sorption ...