Simulation of antisolvent crystallization in impinging jets with coupled multiphase flow-micromixing-PBE
Simulation of antisolvent crystallization in impinging jets with coupled multiphase flow-micromixing-PBE
复制标题
多相流-微混合-PBE耦合冲击射流中反溶剂结晶的模拟
DOI：
10.1016/j.ces.2017.06.011
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发表时间：
2017-11-02
影响因子：
4.7
通讯作者：
Mao, Zai-Sha
中科院分区：
文献类型：
--
作者：
Cheng, Jingcai;Yang, Chao;Mao, Zai-Sha
KT （Kurganov and Tadmor, 2000）有限体积中心格式是求解结晶和其他领域广泛使用的种群平衡方程（PBE）的最有前途的高分辨率数值方法之一。为了满足几何型粒度网格的实际目的，将原始KT方案扩展为一般形式，并对均匀体系中的纯生长进行了验证。基于扩展的KT格式，开发了一种求解器，将一般离散PBE和ami-cromix与OpenFOAM（开源现场操作和操作）中的CFD混合模型耦合在一起。模拟使用已发表的参数，并与撞击射流中甲醇-水混合物的洛伐他汀抗溶剂结晶实验进行了比较。本文首次研究了现有固体晶体对某些晶体性能的影响。在不同的射流速度下，晶体尺寸分布（CSD）的形状与实验观察一致。几何粒度划分能够提高最高粒子数密度划分或陡坡数密度划分的模拟精度。一旦平均晶体尺寸达到20 μ m，现有的固体晶体也会对浆液流动结晶系统产生不可忽略的影响。(C) 2017 Elsevier Ltd.。版权所有。
The KT (Kurganov and Tadmor, 2000) finite-volume central scheme is one of the most promising high resolution numerical methods to solve the widely-used population balance equation (PBE) in crystallization and other areas. To meet the practical purpose of geometric-type particle size grid, the primary KT scheme was extended to a general form and validated for pure growth in homogeneous systems. Based on the extended KT scheme, a solver was developed that couples the general discretized PBE and ami-cromixing and a CFD mixture model in OpenFOAM (open-source field operation and manipulation). The simulation uses published parameters from and is compared to experimental antisolvent crystallization of lovastatin from a methanol-water mixture in an impinging jet. The effect of the existing solid crystals on some crystal properties is investigated in this work for the first time. The shapes of crystal size distribution (CSD) at various jet velocities are consistent with experimental observations. The geometric particle size partition is shown to be capable of improving the accuracy of simulation in divisions of the highest particle number densities or steep gradients in the number density. The existing solid crystals are also shown to have a non-negligible effect on the slurry flow crystallization systems once the mean crystal size reaches 20 mu m. (C) 2017 Elsevier Ltd. All rights reserved.