Slice Simulation Package

In situation (1), it is assumed that the separation of the radical pair is always on one of the slices. However, in a realistic chemical environment the radical pair separation could reside anywhere between these slices. In this situation, a first passage time is required for the separation of the radical pair to hit either of the slices together with its respective probability of either moving closer together or further apart. This scenario is diagrammatically shown in Fig. 4.9. 

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The Slice simulation package relies on generating exit times from the centre of each overlapping slice and the respective probability of exit at either the upper or lower ends of the slice. In this section the generation of the mean exit time is presented which extends the functionality of Slice for ionic systems. The time dependent diffusion equation for charged species is known to be... 

Fig. 5.9 Yield of H2O2, P and R2 obtained using the Hybrid and Slice simulation packages and compared with random flights simulation using a spin relaxation time of 100 ps on the hydroxyl radical. 12 M scavenger concentration was used in aU cases. Number of realisations used 5 x 10. Full simulation parameters are detailed in Tables 5.3 and 5.4. Here MC refers to random flights simulation...

The aim of this study is to first validate the GATE Monte Carlo simulations for accurate modeling of volumetric 64 slice CT scanner. The validated GATE simulation package was then used to characterize the scatter to primary ratio for a range of x-ray energy spectra. Simulation conducted to investigate scatter from a realistic, in order to determine the characteristics of various scatter components which cannot be separated in measurements. 

As previously mentioned, all simulations were done using the Slice package and wherever possible repeated with the Hybrid program as a way of verilying the results. Unless otherwise mentioned, the spin parameters used in the simulation are those detailed in Table 5.3 and the kinetic parameters are those detailed in Table 5.4 (diffusion controlled conditions) or Table 5.5 (partially diflusion controlled conditions). The initial nuclear spin configuration was selected randomly at the start of every... 

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