Optimal control and simulation of multidimensional crystallization processes

The optimal batch control of a multidimensional crystallization process is investigated. A high resolution algorithm is used to simulate the multidimensional crystal size distribution under the operations defined by two optimal control trajectories. It is shown that a subtle change in the optimal control objective can have a very large effect on the crystal size and shape distribution of the product crystals. The effect of spatial variation is investigated using a compartmental model. The effect of differing numbers of compartments on the size and shape distribution of the product crystals is investigated. It is shown that the crystal size distribution can be very different along the height of the crystallizer and that a solution concentration gradient exists due to imperfect mixing. The nucleation rate can be significantly larger at the bottom of the crystallizer and the growth rate can be much larger at the top. The high resolution method provides high simulation accuracy and fast speed, with the ability to solve large numbers of highly nonlinear coupled multidimensional partial differential equations over a wide range of length scales. A parallel programming implementation results in simulation times that are short enough for using the simulation program to compute optimal control trajectories. © 2002 Elsevier Science Ltd. All rights reserved.