Scale-Up of a Semi-Batch Draft Tube Baffled Crystallizer for Hexanitrohexaazaisowurtzitane Based on Experiments and Computational Fluid Dynamics Simulation

Abstract

In this study, experimental work was carried out for the production of microsized hexanitrohexaazaisowurtzitane (HNIW) in a 500 L draft tube baffled (DTB) crystallizer. Acetone and isopropanol were used as the solvent and antisolvent. From the experimental data, the kinetic parameters of the nucleation and growth rates were obtained by the maximum likelihood method. The kinetics was then used in the computational fluid dynamics simulation of a 500 L crystallizer. The simulation results were compared to the experimental data in terms of crystal size distribution, which showed a marginal error. On the basis of this mathematical model, the 500 L DTB crystallizer was scaled-up to 3000 L. Case studies were conducted on the 3000 L DTB crystallizer with one and two draft tubes. HNIW solid volume fraction, particle mean diameter, and particle size distributions were compared for both cases, which led to the conclusion that the two draft tube crystallizer showed better performances. Finally, the result of this paper envisaged dealing with the scale-up of the DTB crystallizer based on the experimental results and computational fluid dynamics simulations.

Software Platform for Computation Fluid Dynamics Simulation of Mixing and Crystallization in a Stirred Vessel

“…In this chapter, we demonstrate the scale-up of a DTB crystallizer by means of CFD simulation with the developed software. The choice of reference DTB crystallizer was obtained from our previous work . CFD simulation results for the original DTB crystallizer (before scale-up) were obtained from the reference.…”

“…The choice of reference DTB crystallizer was obtained from our previous work. 10 CFD simulation results for the original DTB crystallizer (before scale-up) were obtained from the reference. Those of scale-up case were calculated using this software package.…”

“…The CFD simulation result of the crystal size distribution was in good agreement with experimental results. Oh et al have performed CFD simulation of a DTB crystallizer using crystallization kinetics calculated from experimental data. After validation of simulation results based on CSD, a scale-up of 500–3000 L of the crystallizer was carried out.…”

Continuous Miniaturized Draft Tube Baffle Crystallizer with Particle Screw for Supportive Suspension Discharge

“…Usually, it is used for evaporation crystallization, − but it is also applied for antisolvent or (vacuum) cooling crystallization . The DTB has also been investigated in many aspects such as the simulation of flow behavior, ,− the fine-grain dissolution’s influence, , and scale-up studies . Our research group is investigating a down-scaled DTB with approximately 2 L of inner volume to acquire knowledge on the equipment concepts’ potential toward process development as well as energy and resource sustainability.…”

Design and Hydrodynamic Characterization of a Draft Tube Baffle Tank for Lab‐Scale

“…For this purpose, a DTB known from literature is scaled down from 1100 L , , to a vessel with 1 L of inner volume. The use of chemicals and resources can, thus, be reduced as DTBs of larger volumes have been investigated so far , , . The investigations concerning the suspension behavior and residence time of the liquid and solid phase in the DTB is important to predict a possible operating window and serve as a basis to reconstruct the DTB optimally.…”