喷射共沉淀法可控制备吡啶硫酮盐及其颗粒团聚研究

项目名称： 喷射共沉淀法可控制备吡啶硫酮盐及其颗粒团聚研究

项目编号： No.21476048

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 有机化学

项目作者： 骆培成

作者单位： 东南大学

项目金额： 90万元

中文摘要： 本项目针对快速共沉淀反应的过程强化问题，以喷射反应器强化微观混合、可控制备吡啶硫酮盐粉体材料为研究对象，采用实验研究与数值模拟相结合的方法，研究微观混合与合成的颗粒性能之间的科学规律，实现对微纳尺度粉体材料的可控制备。具体来说，通过实验研究喷射反应器的微观混合状态、反应条件等因素对合成的吡啶硫酮盐的形貌、大小、粒径分布、以及团聚体的分形结构特征等的影响规律，在此基础上，探索湍流剪切流控制分散液中颗粒团聚的科学规律和方法；同时对喷射共沉淀反应过程进行数值模拟，重点在大涡模拟层面耦合密度泛函方法，建立喷射共沉淀过程的数值计算方法，并与实验结果相互印证；另外，项目还预期建立光散射手段研究分散液中不规则颗粒形貌及其团聚体的分形结构特征的数学模型。项目的研究成果对于揭示微观混合与化学共沉淀反应之间的科学规律具有重要意义，可以为喷射共沉淀法可控制备微纳尺度粉体材料的工业应用提供科学的指导依据。

中文关键词： 喷射共沉淀；数值模拟；团聚；光散射；吡啶硫酮盐

英文摘要： The intensification of the micromixing efficiency plays an essential role in the process of chemical co-precipitation. This project aims to investigate a co-precipitation process in the novel jet reactor with high micromixing efficiency to synthesize controllable, high-performance particles of pyrithione salts. In particular, we study the effect of the micromixing and reaction conditions on the morphology, size, particle size distribution (PSD),and the fractural structure of particle aggregates, by experiments as well as numerical simulation. We also investigate the new method to control particles aggregation in aqueous solution by using intensive turbulent shear (ITS) flow, and study the corresponding mechanism of ITS method. In the meantime, we emphasize on proposing a mathematical method, which combines the micromixing and coprecipitation reactions, to simulate the co-precipitation process. Probability density function (PDF) method will be coupled with large eddy simulation to predict the process. In addition, we expect to set up a mathematical model to process the experimental data of the light scattering in the study of the morphology of the irregular particles and the fractal structure of their aggregates. The results of this project will be of great help to understand the relationship between the micromixing and the chemical co-precipitation process, as well as providing a scientific guide to the preparation of the controllable particles at the micron and nanometer scales by using the chemical co-precipitation in the jet reactor.

英文关键词： jet co-precipitation;numerical simulation;aggregation;light scattering;pyrithione salts