화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.52, No.7, 2633-2641, 2013
Modeling and Optimal Control of Solution Mediated Polymorphic Transformation of L-Glutamic Acid
The solution-mediated polymorphic transformation (SMPT) of L-glutamic acid is modeled using the method of moments (MoM) with the addition of a dissolution term to account for the transformation of the metastable to the stable polymorph. The numerical solution methodology involves the kinetics of nucleation, growth, and dissolution for the polymorphic system. The effects of the cooling profile, initial solute concentration, and seeding conditions on the product quality were investigated. In supersaturated solutions with respect to both polymorphs, the natural cooling yielded the highest mass of the metastable form, while the nonlinear cooling resulted in the highest mass of the stable form (13.41 g/kg of solvent). The ratio of the stable to metastable form masses was higher with the higher cooling rate parameters. In solutions supersaturated with respect to the stable form and undersaturated relative to the metastable form, the dissolution of the metastable form favored the production of the stable form. The number-weight average size of the stable particles was 148.5 mu m with the nonlinear cooling policy which was 51% and 134% more than those corresponding to the linear and natural cooling policies. Finally, nonlinear programming (NLP) was used in a dynamic mode to investigate the optimal control of the process with different objective functions. It was shown that the optimal control policy had a favorable effect on the yield of the stable or metastable form as well as the particle sizes at the end of the batch. The optimal control using an objective function to maximize the mass of the metastable form at the end of the batch resulted in 7.8 g of crystals/kg of solvent for metastable form which was 33% and 381% higher than the natural and linear cooling policies. For an objective function to maximize the mass of the stable form, the optimal cooling policy increased the mass of the stable form by 3.2% compared to the nonlinear cooling policy.