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A new framework and a simpler method for the development of batch crystallization recipes

机译:开发批量结晶配方的新框架和更简单的方法

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We use a new generalized dimensionless model of a seeded batch crystallization process to compare results from four crystal growth rate/concentration trajectories: a numerically-computed optimal trajectory, a constant growth rate trajectory, a trajectory proposed by Mullin and Nyvlt [Chem Eng Sci. 1971;26:369–377] that can be calculated without a kinetic model, and a linear concentration-time trajectory. Because the model is generalized and dimensionless it is not specific to any particular solute–solvent system. We show that if seed properties are good, all trajectories achieve a good result, whereas if seed properties are poor all trajectories achieve a poor result. If seed properties are intermediate, the linear concentration trajectory performs much worse than the other trajectories. On the basis of this, we conclude: (1) Linear trajectories and natural cooling trajectories are poor and should be avoided. When evaluating the benefit derived from an optimization of a temperature/saturation concentration trajectory, the appropriate benchmark should be the Mullin-Nyvlt trajectory, which typically performs much better than the linear trajectory and can be calculated knowing only the mass of seeds at the beginning of the batch. (2) Changing seed properties is more likely to improve batch crystallizer performance than optimizing the growth/saturation concentration trajectory. (3) For rapid process development, the most reasonable approach is to use the Mullin-Nyvlt trajectory and seek to improve process performance by adjusting seed properties. ? 2010 American Institute of Chemical Engineers AIChE J, 2011
机译:我们使用了种子批量结晶过程的新的广义无量纲模型来比较四种晶体生长速率/浓度轨迹的结果:数值计算的最佳轨迹,恒定增长率的轨迹,Mullin和Nyvlt提出的轨迹[Chem Eng Sci。 1971; 26:369–377]可以在没有动力学模型和线性浓度-时间轨迹的情况下进行计算。由于模型是广义的且无量纲的,因此它不适用于任何特定的溶质-溶剂系统。我们表明,如果种子特性良好,则所有轨迹都将获得良好的结果,而如果种子特性较差,则所有轨迹均将获得较差的结果。如果种子特性处于中间状态,则线性浓度轨迹的性能将比其他轨迹差得多。基于此,我们得出以下结论:(1)线性轨迹和自然冷却轨迹较差,应避免。在评估从温度/饱和浓度轨迹的优化获得的收益时,适当的基准应该是Mullin-Nyvlt轨迹,其性能通常比线性轨迹好得多,并且可以仅在种子开始时知道种子质量的情况下进行计算。该批次。 (2)与优化生长/饱和浓度轨迹相比,改变晶种特性更可能提高批结晶器的性能。 (3)为了快速进行工艺开发,最合理的方法是使用Mullin-Nyvlt轨迹,并试图通过调整种子特性来提高工艺性能。 ? 2010美国化学工程师学会AIChE J,2011

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