The theoretical study of the positron annihilation in complex material such as zeolite is greatly significant to support and increase the accuracy analysis of the material structure from the experimental data of the positron annihilation. The mordenite zeolite is a big and complicated structure consisting of channels and cavities. The analysis of the mordenite structure is studied by the PALS so depending on the selection of the positron lifetime components of the positron annihilation spectra fitting methods. Therefore, these positron life times in on TO4, Na, Ca, K, Fe, H2O and the rings which form the channels and cavities are sophisticatedly studied by the DFT calculation using Ab-initio. The mordenite and modified mordenite zeolite structures are precisely analyzed, and the physical behaviors of the positron in these are more understood by these theoretical results.

This investigation aims to compare the full energy peak efficiencies in the energy range of 46-1836 keV on a type-p coaxial HPGe and estimate the coincidence summing factor for the case of Marinelli Beaker samples used by two general Monte-Carlo simulation software MCNP and PENELOPE. The radioactive nuclides used in determining the coincidence summing factor include 22Na, 60Co, 88Y, 133Ba, 134Cs, 154Eu, and 208Tl, which are prepared in HCl 2M solution and contained in a Marinelli beaker with the source’s volume of 3000 ml. The results demonstrate there is a good agreement between the two simulation software with an average discrepancy of 1.3%. On the other hand, the simulation coincidence summing factor values are also compared with the results from the calculating software ETNA with an average discrepancy of approximately 3.1%.

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