Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

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Manuscript Title: MICELLE, the micelle size effect on the LS counting
efficiency | ||

Authors: A. Grau Carles | ||

Program title: MICELLE | ||

Catalogue identifier: ACPU_v3_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 176(2007)305 | ||

Programming language: FORTRAN 77. | ||

Computer: any IBM PC compatible with 80386 or
higher Intel processors. | ||

Operating system: MS-DOS and higher systems. | ||

RAM: 235 kword | ||

Word size: 16 bits | ||

Keywords: Radioactivity, liquid-scintillation counting, electron-capture decay. | ||

PACS: 07.57.Kp, 29.30.Dn.. | ||

Classification: 2.3. | ||

Does the new version supersede the previous version?: Yes | ||

Nature of problem:Both β and electron-capture are decay processes characterized
by a large variability in energy. In the first case, one single
β-particle is emitted per decay following the Fermi
distribution. In the second, several electrons (Auger and/or
Coster-Kronig) of very different energies can be ejected
simultaneously. The detailed simulation of these two electron
release processes has practical interest in two situations: (1) to
standardize radionuclides with a liquid-scintillation counter, (2)
to compute the absorbed dose in the surroundings of a radiolabeled
molecule. | ||

Solution method:Although the application of simplified deterministic models is sufficiently accurate for pure β-ray emitters, the large stochastic variability of both electron-capture and internal conversion processes restricts the accuracy of the deterministic models KLM, KLMN and KL _{1}L_{2}L_{3}M to nuclides of low
atomic numbers. To extend the applicability of the method to larger
nuclei, both M_{i}- and N_{j}-subshells must be included into
the model. However, the addition of these outer atom subshells to
the deterministic model involves a huge number of atomic
rearrangement pathways, requiring from simplifications which are
frequently limited to certain nuclides. A more feasible method
considers using random numbers to simulate step by step the
rearrangement of the atom. | ||

Reasons for new version:This version extends the computation of the liquid-scintillation counting efficiency to electron-capture radionuclides of 30≤ Z≤ 54. The simplified deterministic models of previous versions
are replaced by a complete stochastic model, which considers all
possible subshells involved in the atomic rearrangement of the atom.
The program can simulate samples in the gel phase, including the
effects of the micelles on the counting efficiency. These effects
have been found to be useful for building nanodosimeters based on
gel scintillators. | ||

Restrictions:The program is restricted to radionuclides of atomic numbers within the interval 30≤ Z≤ 54. This version ignores the
photoionization quench correction, which can be obviated for
Z≥30. On the other hand, the simulation of the mechanisms of
multiple ionization require from more elaborated models for Z>54.
Experiments with gases are only available for nuclides with atomic
numbers larger than that of ^{131}I, for which the emission of
Auger electrons, and consequently the ionization of xenon
(Z = 54), stops for transitions other than N_{4}O_{2}O_{2}. | ||

Running time:The test runs each take approximately 3 minutes to complete. |

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