Two-Dimensional CFD based compartment modeling for dynamic simulation of semi-batch crystallization processes in stirred tank reactors

• Published in: Computers & chemical engineering Vol. 140; p. 106933
• Main Authors: Massmann, Tim, Kocks, Christian, Parakenings, Leonhard, Weber, Benedikt, Jupke, Andreas
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 02.09.2020
• Subjects: CFD based compartment modeling; Itaconic acid; pH-shift crystallization; semi-batch crystallization; Time-driven n-Monte-Carlo simulation; CFD based compartment modeling; Itaconic acid; semi-batch crystallization; pH-shift crystallization; Time-driven n-Monte-Carlo simulation
• ISSN: 0098-1354; 1873-4375
• DOI: 10.1016/j.compchemeng.2020.106933

Crystallization processes whose characteristic is dosing of one or multiple feeds are often dominated by local phenomena at the feeding positions. This work applies a computational fluid dynamics (CFD) based compartment model (CM) to pH-shift crystallization of itaconic acid with two feeds to account for inhomogeneities. Population balancing in each compartment is solved by time-driven n-Monte-Carlo modeling. Compartmentation and model validation is performed according to literature. The influence of the feed volume flow and CM is neglected for CFD simulation, no feedback loop from CM to CFD is applied. This work shows the application for strongly changing filling levels (up to 63%) and thereby flow regimes. Local relative supersaturations of compartments are necessary for the interpretation of obtained experimental data by (Eggert et al., 2019). Local resolution has to be considered for change rates of the relative supersaturation with respect to mean seed surface area over 168 h−1 m−2.