结晶习性
木糖
Crystal(编程语言)
扩散
晶体工程
化学
溶剂
氢键
糖
结晶度
甲醇
晶体生长
化学物理
化学工程
结晶学
结晶
有机化学
热力学
分子
物理
发酵
计算机科学
程序设计语言
工程类
作者
Xiaoyu Zhao,Yuexin Han,Kai Guo,Tinghui Cao,Yanfei Wang,Ruge Cao
标识
DOI:10.1021/acs.iecr.3c02784
摘要
d-Xylose has wide applications in industries such as food, pharmaceuticals, and energy and chemical engineering. Understanding its crystal habit and particle size is important for its further application. In this study, molecular dynamics simulations were used to explore how different solvents and additives affect the crystal habit of d-xylose. By considering surface properties and calculating diffusion coefficients, the interactions and distribution of electrostatic potentials were analyzed. The results showed that solvents including DMSO, methanol, and DMF had varying diffusion coefficients on crystal surfaces. Solvent polarity influenced hydrogen bonding distance, affecting crystal growth rates. Except for Tween 80, the increase in additive concentration was favorable in reducing the aspect ratio. This study demonstrates the potential of the atomic environment model to investigate sugar crystal habits and provides insights into controlling the aspect ratio of d-xylose with additive. These findings pave the way for future research on d-xylose crystals with smaller aspect ratios.
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