On the simulation and modeling for the reaction mechanism and solid state detonation phenomena in non-conventional explosives

In this thesis, we present a kinetic model in carrying out a simulation of reaction mechanism in porous aluminum and Teflon mixtures. The models and simulations are presented for the reaction mechanism, shock ignition and the development of detonation in a select aluminum and Teflon mixture. To achieve efficient simulation of reacting process, we studied multi-scale asymptotic 'G-scheme' so that an issue of multi-scale character is addressed in the numerical computation. As an effort to connect such a microscopic analysis to existing continuum mixture theories characterizing classical explosives, we provide a preliminary work to establish generic prototypes of methodology for characterizing reaction mechanism. The method that we are interested and employing in this thesis is the Time of Flight Mass Spectroscopy (TOFMS). It monitors the Deflagration to Detonation Transition phenomena of small-scale explosive samples in vacuum subjected to short duration shock stimuli. To support the experiment in vacuum chamber, the numerical simulation of particle expanding toward vacuum is required. In this thesis, we developed a complete set of algorithms required for the simulation of 1D hydrodynamic model for reactive flow with general EOS adjacent to a vacuum interface. We connected a series of numerical methods, including approximate Riemann solver, splitting method, higher-order interpolation and vacuum tracking method combined with the general equations of state. Our scheme can used for calculating TOA (Time of Arrival) of particles to the sensors in TOFMS and for theoretically better calibration of the parameters of kinetics models in nano-scale reaction. Finally, the Arbitrary Lagrangian-Eulerian method is considered for better mass conserving capability and efficient computational algorithm. The method is not included in our current numerical algorithm but we studied the method as an introduction of our future numerical strategy.

Name thesis:degree_name

M.S.

Level thesis:degree_level

Thesis

Discipline thesis:degree_discipline

Theoretical & Applied Mechans

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2013

Author dc:creator

• Choi, Sungjin

Contributors dc:contributor

• Stewart, Donald S.

• Detonation Simulation
• Non-ideal Explosive
• Chemical Kinetics
• Time of Flight Mass Spectroscopy (TOFMS) simulation
• Vacuum Riemann Problem
• Vacuum Tracking Method
• Multi-scale Asymptotics
• G-Scheme
• Arbitrary Lagrangian-Eulerian Method

Statement dc:rights

• Copyright 2012 Sungjin Choi

Language dc:language

en

Handle dc:identifier

http://hdl.handle.net/2142/42224

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/42224