kinetic monte carlo simulation was applied to investigation of kinetics and mechanism of oxalic acid degradation by direct and heterogeneous catalytic ozonation. la-containing perovskites including lafeo3, lanio3, lacoo3 and lamno3 was studied as catalyst for oxalic acid ozonation. the reaction kinetic mechanisms of each abovementioned catalytic systems has been achieved. the rate constants val...

the hydration of biomolecules is vitally important in molecular biology, so in this paper thesolvation energy and radial distribution function of dna bases have been calculated by themonte carlo simulation.the geometries of isolated adenine, guanine, cytosine, and thyminehave been optimized using 6-31+g(d,p) basis function sets. these geometries then will be used inthe monte carlo calculation o...

Background: For an effective treatment planning in brachytherapy, it is necessary to know the accurate source dosimetric information such as air kerma strength, exposure rate constant, dose rate constant and redial dose distribution. The usual method to determine these factors is thermo luminescent dosimeter (TLD) dosimetry. Nowadays, another more accurate method is known to be the Monte Carlo ...

monte carlo simulation is a standard technique for project risk analysis. however, some assumptions of this technique are not reasonable in real world. when a project falls behind the schedule, managers take actions to improve the performance. nevertheless, most of the simulation models as monte carlo omit these reactions in their analysis, which results in unreasonable wide distributions or ev...

the determination of gyration radius is a strong research for configuration of a macromolecule. italso reflects molecular compactness shape. in this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. we studiedthe changes of these factors as a function of temperature for acetylcholine receptor protein in gasphase with n...

introduction lead-based shields are the most widely used attenuators in x-ray and gamma ray fields. the heavy weight, toxicity and corrosion of lead have led researchers towards the development of non-lead shields. materials and methods the purpose of this study was to design multi-layered shields for protection against x-rays and gamma rays in diagnostic radiology and nuclear medicine. in this...

introduction: among different kinds of oral cavity cancers, the frequency of tongue cancer occurrence is more significant. brachytherapy is the most common method to cure tongue cancers. long sources are used in different techniques of tongue brachytherapy. the objective of this study is to asses the dose distribution around long sources, comparing different radioisotopes as brachytherapy sourc...

in the present study, the kinetics of biodiesel production through transesterification of brassica carinata oil with methanol in the presence of potassium hydroxide is investigated by kinetic monte carlo simulation. the obtained results from simulation agree qualitatively with the existing experimental data. the kinetics data for each step of suggested mechanism are confirmed by simulation. by ...

background: most preclinical studies are carried out on mice. for internal dose  assessment of a mouse, specific absorbed fraction (saf) values play an important role.  in most studies, saf values are estimated using older standard human organ compositions  and values for limited source target pairs. objective: saf values for monoenergetic photons of energies 15, 50, 100, 500,  1000 and 4000 ke...