zjgbit
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How to predict the detonation properties of energetic materials
Dear everyone,
As for the predict the detonati on properties of energetic materials.
Kamlet equation can only be used to the system of C, H, O, N element!
About the Nitrogen cluster explosives, or the mixed explosives comprised of the metal element,
How can we do??
thanks!
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chief
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First you would need the crystal structure of the stuff ...
==> Then you estimate the velocities of sound and their anisotropies (not too easy)
==> then you try to estimate the change oft those with rising pressure (even harder, but could be measured as well)
So then you would have the speed at which a shockwave could propagate through the stuff ... and thereby it's detonation-properties (which would
include some look at the energies and properties of the reaction-products too)
==> enough busines to become a doctor or even a professor ...
But every journey starts with a single step .. as they say ...
==> and that would be to obtain the crystal-structure-database for organic materials, "CCSD"("Camebridge Crystal Structure Database"), not free,
expensive, and I until now never found any rapidshare-link towards it ... ...
but chances are it run's on a server or two in the chemical departement of the next university ... (not accessible from outside, of course)
One might then have the idea of "dumping the database" or exporting it to "CSV" or whatever, just ask a friend who is proficient in such things ...
but I must say: Don't break any law ... (  )
[Edited on 24-1-2010 by chief]
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zjgbit
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Thanks your reply, very much!
As you know, the Klame Method only can be used to the field of CHON compounds!
I may calculate the explode pressure and other related parameters of this CHON compounds.
1. I can obtain the density and heats of formation, and then, we can calculate the explodation papameters.
However, as for the Nitrogen cluster, the Klame equation can't work? how can I do?
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chief
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As I said: The speed of sound is what you need, and it's nonlinear behaviour under pressure ...
The "Klame"-Method -- whatever it is -- probably can approximated this way as well ...
The higher the speed of sound, the faster the shockwave can travel through the substance (and ignite the rest of it) ; not sure, how many of the
professional blastheads see it this way ... ; its also the key to calculate how an explosive would go through a material (eg. steel; if the explosive
impacts faster than the steel can diffuse the impact -- oh wonder, the shaped-charge-effect ...  ) ...
Usually stronger bonds give faster velocities of sound, heavier atoms diminish that speed (with exceptions); see phononic calculations ...
... so the fastest explosives would be such with strong bonds but lightweight atoms ...
Get the CCSD, post it somewhere and I might help out ...
Also feel free to contact me for co-operation on the topic under the legal shelter of institutional science ... I'm looking for projects again ...
[Edited on 24-1-2010 by chief]
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