TY - JOUR
T1 - Mathematical model for a fed-batch crystallization process for energetic crystals to achieve targeted size distributions
AU - Schefflan, Ralph
AU - Kovenklioglu, Suphan
AU - Kalyon, Dilhan
AU - Redner, Paul
AU - Heider, Eileen
PY - 2006/7/1
Y1 - 2006/7/1
N2 - In the manufacture of energetic materials including RDX, HMX, CL-20, it is a challenge to obtain the targeted size distribution. Generally blending is costly and regrinding of the crystals increases the defect densities to give rise to increased sensitivity. The ability to predict apriori the size distribution of various energetic crystalline materials upon recrystallization as a function of the operating conditions, allows the optimization of the process parameters to achieve the desired size distribution without having to regrind or blend different size populations. Here a comprehensive mathematical model of the fed-batch crystallization process consisting of two groups of equations is presented. These include first the dynamic material and energy equations, and second, a population balance model for the prediction of the number density of crystals as a function of time and size as functions of the nucleation and growth kinetics for the particles. A numerical solution to the general problem, which involves the alternate solution of the equations at each time step, was developed considering that the reactor volume changes with each time step. Typical results are presented to demonstrate the utility of the mathematical model of the recrystallization process.
AB - In the manufacture of energetic materials including RDX, HMX, CL-20, it is a challenge to obtain the targeted size distribution. Generally blending is costly and regrinding of the crystals increases the defect densities to give rise to increased sensitivity. The ability to predict apriori the size distribution of various energetic crystalline materials upon recrystallization as a function of the operating conditions, allows the optimization of the process parameters to achieve the desired size distribution without having to regrind or blend different size populations. Here a comprehensive mathematical model of the fed-batch crystallization process consisting of two groups of equations is presented. These include first the dynamic material and energy equations, and second, a population balance model for the prediction of the number density of crystals as a function of time and size as functions of the nucleation and growth kinetics for the particles. A numerical solution to the general problem, which involves the alternate solution of the equations at each time step, was developed considering that the reactor volume changes with each time step. Typical results are presented to demonstrate the utility of the mathematical model of the recrystallization process.
KW - CL-20
KW - Fed-batch crystallization process
KW - HMX
KW - Particle size
KW - RDX
UR - http://www.scopus.com/inward/record.url?scp=33745179867&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33745179867&partnerID=8YFLogxK
U2 - 10.1080/07370650600672058
DO - 10.1080/07370650600672058
M3 - Article
AN - SCOPUS:33745179867
SN - 0737-0652
VL - 24
SP - 157
EP - 172
JO - Journal of Energetic Materials
JF - Journal of Energetic Materials
IS - 2
ER -