Calculation of diffusion activation energy by thermodynamic model

Thermodynamic Study and Total Energy Calculation for three systems of Enol↔Keto Tautomerism

Using Hartree–Fock (HF) and ِِDensity Functional Theory (DFT) calculations the thermodynamic properties such as thermal energy , , thermal enthalpy , , thermal entropy , , thermal Gibbs free energy , , heat capacity ,Cv, and molecular structures of several species involving in keto↔enol tautomerism related to acetaldehyde (A), 5,5-dimethyl-1,3-cyclohexanedione (dimedone) and  acetylacetone (AA) h...

Energy Optimization And Calculation Of Dose Absorption Enhancement Factor In Photon Activation Therapy

Introduction: Secondary radiation such as photoelectrons, Auger electrons and characteristic radiations cause a local boost in dose for a tumor when irradiated with an external X-ray beam after being loaded with elements capable of activating the tumor, e.g.; I and Gd. Materials and Methods:  In this investigation, the MCNPX code was used for simulation and calculation of dose enhancement facto...

STATISTICAL-MECHANICAL CALCULATION OF THERMODYNAMIC PROPERTIES OF ALBITE USING A TWO-DIMENSIONAL MODEL

CuMn2O4 nanostructures: Facial synthesis, structural,magnetical, electrical characterization and activation energy calculation

The work is the report about stearic acid sol-gel synthesis method, magnetically, electricalcharacterization and activation energy of copper manganese oxide nanostructures. The CuMn2O4 nanostructures are synthesized at a temperature of 600°C using the sol-gel method. The structural analysis using X-ray diffraction (XRD) and Scherrer equation show that the crystallite size of CuMn2O4 is ab...

Study on the Thermal Decomposition Kinetics and Calculation of Activation Energy of Degradation of Poly(o-toluidine) Using Thermogravimetric Analysis

Thermo Gravimetric Analysis (TGA) analysis was employed to investigate activation energy (Ea) for the process of degrading of poly(o-toluidine) (POT) applying Horwitz & Metzger, Coats & Redfern and Chan et al., methods. POT was synthesized by chemical oxidative polymerization method using Ammonium per Sulphate (APS) as an oxidant while Dodecylbenzene Sulphonic Acid (DBSA) and sul...