Comparisons of calculations with PARTRAC and NOREC: transport of electrons in liquid water.
Monte Carlo computer models that simulate the detailed, event-by-event transport of electrons in liquid water are valuable for the interpretation and understanding of findings in radiation chemistry and radiation biology. Because of the paucity of experimental data, such efforts must rely on theoretical principles and considerable judgment in their development. Experimental verification of numerical input is possible to only a limited extent. Indirect support for model validity can be gained from a comparison of details between two independently developed computer codes as well as the observable results calculated with them. In this study, we compare the transport properties of electrons in liquid water using two such models, PARTRAC and NOREC. Both use interaction cross sections based on plane-wave Born approximations and a numerical parameterization of the complex dielectric response function for the liquid. The models are described and compared, and their similarities and differences are highlighted. Recent developments in the field are discussed and taken into account. The calculated stopping powers, W values, and slab penetration characteristics are in good agreement with one another and with other independent sources.
Dingfelder
M
M
Department of Physics, East Carolina University, Greenville, NC 27858, USA. dingfelderm@ecu.edu
Ritchie
R H
RH
Turner
J E
JE
Friedland
W
W
Paretzke
H G
HG
Hamm
R N
RN
D003198:Computer Simulation; D004583:Electrons; D007477:Ions / Q000737:chemistry; D008956:Models, Chemical; D009010:Monte Carlo Method; D015203:Reproducibility of Results; D014867:Water / Q000737:chemistry*
D007477:Ions; D014867:Water