Nuclear reaction analyses for green chemistry: Evaluating environmental safety in charged particle interactions

Department of Physics, College of Education for Pure Sciences, University of Babylon, Hillah, Iraq

^* Corresponding author: pure.fatima.mohammed@uobabylon.edu.iq

Abstract

The total stopping power, range and stopping time were calculated using relativity theory equation of Betha's at energies ranging from 1 MeV to 1000 MeV. Depending on the nuclear reactions that produce charged particles such as nuclei 2046Ca, 2246Ti and 1225Mg decompose into alpha-beta and a proton, respectively, where the nuclear energy levels and binding energies of the radioactive nuclei were calculated by NuShellX@MSU program to obtain the energies of the beta, alpha and proton particles as induced projectiles by the targets are water, benzene and sodium chloride molecules. We applied the density functional theory to carry out the analysis of the molecules by Density Functional Theory/Gaussian 09W and GaussView 5.8. Ionization potential, HOMO- LUMO level energy, total electronic density and electrostatic potential have been determined by Density Functional Theory method of target in calculation of the total stopping power, range and stopping time of charged particles. The total stopping power, impact range and stopping time calculations of water, benzene and sodium chloride molecules results have been done by computer code in MATLAB language. The best agreement between the obtained results in energy region above 10 MeV was achieved, the total stopping power decreases in the alpha and proton state. At 1 MeV to 1000 MeV energy range, our calculations to stopping power and time with range in water, benzene and sodium chloride molecules are in excellent agreement with obtained results as function of beta energy. The study shows the stopping power of these materials due to their importance and benefit, and provide the reason why these materials have a high stopping power for impacting charged particles.