Particle size distribution design of limited agglomeration via geometric morphology in erythritol crystallization

IF 4.1 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology Pub Date : 2024-08-08 DOI:10.1016/j.partic.2024.07.017

Mingxuan Li , Suoqing Zhang , Jiansong Wang , Jiahui Li , Wei Zhao , Leida Zhang , Mingyang Chen , Dandan Han , Junbo Gong

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Abstract

Regarding sugar and salt crystallization with large single crystals, the agglomerate thermodynamics and geometric morphologies, not the dynamics, dominate the particle size distribution (PSD). To consider this issue, a PSD design model is proposed for limited large crystal agglomeration. In this model, the agglomeration thermodynamic criticality is determined by estimating the adhesion and dispersion forces between single crystals. The geometric agglomerate morphologies are described by corresponding single crystal units stacking with porosity. By seed well-controlled of population, the key parameters of PSD (D01, D50 and D99) are precisely designed. For erythritol, the model design accuracies are 92%–99% in the 1.2 L and 10 L crystallizers, indicating that it can design PSD at various crystallization scales. Concerning the general research attention to microcrystal agglomeration kinetics (mostly active pharmaceutical ingredients), this model effectively guides the sugar and salt PSD design with limited large crystal agglomeration.

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通过赤藓糖醇结晶中的几何形态设计有限聚结的粒度分布

关于糖和盐的大单晶结晶，团聚热力学和几何形态（而非动力学）主导着粒度分布（PSD）。考虑到这一问题，我们提出了一个针对有限大晶体团聚的 PSD 设计模型。在该模型中，通过估算单晶体之间的粘附力和分散力来确定团聚的热力学临界值。团聚体的几何形态由相应的单晶单元堆叠与多孔性来描述。通过种群控制，PSD 的关键参数（D01、D50 和 D99）得以精确设计。对于赤藓糖醇，在 1.2 L 和 10 L 结晶器中的模型设计精确度为 92%-99%，表明它可以设计不同结晶规模的 PSD。鉴于微晶团聚动力学（主要是活性药物成分）受到普遍研究关注，该模型可有效指导糖和盐的 PSD 设计，限制大晶体团聚。

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来源期刊

Particuology 工程技术-材料科学：综合

CiteScore

6.70

自引率

2.90%

发文量

1730

审稿时长

32 days

期刊介绍： The word ‘particuology’ was coined to parallel the discipline for the science and technology of particles. Particuology is an interdisciplinary journal that publishes frontier research articles and critical reviews on the discovery, formulation and engineering of particulate materials, processes and systems. It especially welcomes contributions utilising advanced theoretical, modelling and measurement methods to enable the discovery and creation of new particulate materials, and the manufacturing of functional particulate-based products, such as sensors. Papers are handled by Thematic Editors who oversee contributions from specific subject fields. These fields are classified into: Particle Synthesis and Modification; Particle Characterization and Measurement; Granular Systems and Bulk Solids Technology; Fluidization and Particle-Fluid Systems; Aerosols; and Applications of Particle Technology. Key topics concerning the creation and processing of particulates include: -Modelling and simulation of particle formation, collective behaviour of particles and systems for particle production over a broad spectrum of length scales -Mining of experimental data for particle synthesis and surface properties to facilitate the creation of new materials and processes -Particle design and preparation including controlled response and sensing functionalities in formation, delivery systems and biological systems, etc. -Experimental and computational methods for visualization and analysis of particulate system. These topics are broadly relevant to the production of materials, pharmaceuticals and food, and to the conversion of energy resources to fuels and protection of the environment.