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13th IFAC Symposium on Dynamics and Control of Process Systems, including Biosystems (DYCOPS)

作者： Ai, Jiali Dai, Jindong Zhai, Chi Sun, Wei Beijing Univ Chem Technol Coll Chem Engn Beijing 100029 Peoples R China Kunming Univ Sci & Technol Fac Chem Engn Kunming 650500 Yunnan Peoples R China

crystallization is widely used for separation and purification. During this process, the different growth conditions, such as temperature and supersaturation, would result in different size and morphology, which not only affect the product quality, but also affect the subsequent process operations. Through the simulation of the crystallization process, a better understanding of crystallization process dynamics can be extracted. The population balance (PB) model has been used to simulate industrial crystallization processes, while the multi-dimensional population balance (MPB) model can be used to obtain the information of size and morphology distribution. However, the morphological distribution information provided by numerical solution of MPB is macroscopic, and the specific morphology of a crystal particle cannot be displayed at the microscopic level, so the difference among crystals morphology cannot be clearly displayed. Cellular automata (CA) is a method that simulates a process by considering simple cell changes and cell-to-cell interactions. It can be employed to conduct cross-scale simulation, i.e., both macro and micro. In this work, a CA method is introduced into an MPB model to simulate the batch cooling crystallization process from solution. The rule of crystal growth comes from classical diffusion theory, and whether the solution is transformed into a crystal is realized by the Monte Carlo method. The crystallization of potassium dihydrogen phosphate (KDP) is taken as a case-study and the results is verified with the results in the literature. Through CA simulation, not only the macroscopic crystal size and morphology distribution information can be obtained, but also the crystal morphology in microscopic can be exhibited. At the same time, the crystallization process can be visualized in 3-D environment, with size and morphology distribution being presented intuitively. In addition, the calculation time is reduced under certain accurate conditions. Thi

关键词： multi-dimensional population balance (MPB) equation batch cooling crystallization of solution dynamic simulation potassium dihydrogen phosphate (KDP) High-resolution finite volume method crystal morphology crystal size distribution

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Simulation and 3-D Visualization of crystallization Process Based on Cellular Automata

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IFAC-PapersOnLine 2022年第7期55卷 661-666页

作者： Jiali Ai Jindong Dai Chi Zhai Wei Sun College of Chemical Engineering Beijing University of Chemical Technology Beijing 100029 China Faculty of chemical engineering Kunming University of Science and Technology Kunming 650500 China

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