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Molecular dynamics study of diffusion of two krypton atoms in 300 SPC/E water molecules at temperatures 293, 303, 313, 323 and 333 K has been carried out. Self-diffusion coefficient of krypton and water along with their mutual diffusion coefficients are estimated. Self-diffusion coefficient for krypton is calculated by using Mean Square Displacement (MSD) method and Velocity Autocorrelation (VACF) method, while that for water is calculated by using MSD method only. The mutual diffusion coefficient is estimated by using the Darken’s relation. The diffusion coefficients are found to follow the Arrhenius behavior. The structural properties of the system have been estimated by the study of solute–solute, solvent–solvent, and solute–solvent Radial Distribution Function (RDF).
BOREXINO has set new standards in the field of ultra-low background experiments. Such a success was only possible by a strict quality control program during the construction phase of the experiment. In this paper, we describe how construction materials and auxiliary systems of the BOREXINO detector were screened for their residual radioactivity with unprecedented high sensitivity. The highly sensitive assay techniques developed for this purpose were also used to validate the purity of water and nitrogen used in the experiment. Moreover, we report on the production of 222Rn-free nitrogen and synthetic air with very low 222Rn concentration as well as on the successful search for commercial nitrogen with a particularly low concentration of argon and krypton.