Journal
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 62, Issue 44, Pages 18280-18291Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.iecr.3c02784
Keywords
-
Categories
Ask authors/readers for more resources
In this study, molecular dynamics simulations were used to investigate the effects of different solvents and additives on the crystal habit of d-xylose. The results showed that solvent polarity influenced the hydrogen bonding distance, while an increase in additive concentration was favorable in reducing the aspect ratio.
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available