in Wiley InterScience (www.interscience.wiley.com).An adaptive orthogonal collocation on finite elements method with adaptively varied upper bound of the relevant size interval is developed for numerical solution of population balance equation of crystallizers. Nucleation producing monosized and heterosized nuclei, size-dependent crystal growth, seeding, classified product removal and fines removal with dissolution are included into the model. Adaptation of the number and length, as well as the distribution of finite elements over the variable length computational interval is carried out forming a number of adaptation rules, based on ordering the finite elements of size coordinate according to the maxima of first derivatives of the population density function. The approximation is obtained using the Lagrange interpolation polynomials. The method is used for solving the mixed set of nonlinear ordinary and partial differential equations, forming a detailed dynamical model of continuous crystallizers with product classification and/or fines removal. The program can be used efficiently for simulation of stationary and dynamic processes of crystallization systems, computing either transients or long-time oscillating steady states generated by different nonlinear phenomena, and internal and external feedbacks. AIChE J, 53: 3089-3107, 2007 Keywords: crystallization, population balance model, numerical solution, orthogonal collocation on finite elements, dynamic simulation
American Institute of Chemical Engineers
IntroductionThe population balance model is an adequate mathematical description of crystallization processes. This model consists of a mixed set of ordinary and partial integrodifferential equations even in the simplest case of MSMPR (mixed suspension, mixed product removal) crystallizers, and the crucial point of using this modeling approach is the numerical solution of the population balance equation.A number of numerical methods have been proposed for solving this equation, focusing on different modeling aspects of disperse systems, among which the weighted residual methods have received considerable attention. Subramanian and Ramkrishna, 1 considering microbial populations, were the first to use the method of weighted residuals for population balance equation, showing that the Laguerre functions were suitable trail functions on semi-infinite interval [0, 1). Singh and Ramkrishna 2 proposed problem-specific polynomials to obtain solutions to dynamic population balance problems. Lakatos et al. 3 applied the generalized Laguerre functions for simulation of batch crystallization processes, solving the population balance equation by means of orthogonal collocation, and making possible of modifying the distribution of collocation points along the size coordinate by varying the scale factor. Witkowski and Rawlings, 4 investigating identification and control issues of solution crystallizers, applied the Laguerre polynomials for computing the crystal-size distribution.Correspondence concerning this article shou...