Material properties

Dear Fluka experts:
              I am a graduate student of Chemical Engineering, actually I
am at he Chemical eng. dept. of the University of Minnesota
and I am doing research on the Electron Beam induced
polymerization of difunctional monomers. Actually we have an
Electron beam apparatus built in the department labs and
capable of delivering pulsed beams in the energy range 100 -
250 keV and we are doing research on reaction kinetics and
network properties buildup.
I started using FLUKA to model the energy deposition in the reaction
chamber and to assess safety issues, although all the material of the
chamber are present in the material database (copper, vacuum, nitrogen,
lead, allumomium etc) the reaction media is not present. Actually my
concern regards the effect of the insaturated carbon bonds, say the double
bonds of the reacting monomer, and the prsence of double bounded oxygen in
the molecules, infact I know from csda theory that correction should be
applied for insaturatio, but I don't know how to do this in Fluka.
It should be considered that the presence of double bounded oxygen and
carbon can lead to partial delocalization of valence electron on the
monomer molecules, this lead to different bonding energy. Can this be
important? Actually the mechanism of initiation of Electron Beam
polymerization is the excitation and ionization induced by the collision
between incident electron and molecular electron.
With my best regards
Giovanni Cocchi
Received on Sun Jul 05 2009 - 20:43:46 CEST