Study on viscosity mechanism of caffeine crystallization solutions

IF 4.1 2区材料科学 Q2 ENGINEERING, CHEMICAL Particuology Pub Date : 2024-04-12 DOI:10.1016/j.partic.2024.03.010

Linjing Yu, Min Su

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Abstract

The solid-liquid viscous system formed by high viscosity crystallization solution impacts the flow and separation performance. Therefore, it is very important to study the viscosity mechanism to improve viscosity and regulate crystallization, ensuring a seamless production process. Herein, the viscosity of crystallization solution was taken as the measurement parameter of caffeine as a model drug. We investigated the viscosity mechanism of caffeine crystallization solutions by combining experiment and simulation. The results indicated that the weak interactions between caffeine and water result in increased viscosity of the caffeine crystallization solutions. Moreover, caffeine crystals possess elongated needle-like shapes, featuring a substantial specific surface area. Additionally, there is π-π stacking occurring between the (2 0 0) crystal face and (1 1 0) crystal face, effectively fostering coalescence of the crystals towards the radial side of the crystal along its elongated axis, resulting in a more viscous crystallization system. The results contribute to comprehending the viscosity mechanism of crystal systems and provide theoretical foundation to enhance engineering efficiency in crystallization.

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咖啡因结晶溶液的粘度机理研究

高粘度结晶溶液形成的固液粘稠体系会影响流动和分离性能。因此，研究粘度机理对提高粘度、调节结晶、确保生产过程无缝衔接非常重要。本文以咖啡因为模型药物，以结晶溶液的粘度为测量参数。我们通过实验和模拟相结合的方法研究了咖啡因结晶溶液的粘度机理。结果表明，咖啡因与水之间的弱相互作用导致咖啡因结晶溶液的粘度增加。此外，咖啡因结晶呈细长的针状，具有很大的比表面积。此外，(2 0 0)晶面和(1 1 0)晶面之间存在π-π堆积，有效地促进了晶体沿其细长轴线向晶体径向一侧的凝聚，从而形成了一个粘度更高的结晶体系。研究结果有助于理解晶体体系的粘性机理，并为提高结晶工程效率提供理论基础。

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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.