Characterization of coal-based fulvic acid and the construction of a fulvic acid molecular model
Guanqun Gong, Xin Yuan, Yingjie Zhang, Ya-jun Li, Weixin Liu, Ming Wang, Yufeng Zhao, Liangwei Xu
Abstract
, and the relative molecular mass is 886. The lowest-energy, structurally optimized three-dimensional characteristic ball-and-stick and stick models were also constructed. The calculated infrared spectrum of the molecular structure matches well with the experimental spectrum of FA, and the types and distributions of functional groups agree with the findings of previous studies. The quantum chemical data confirm that the proposed molecular structure is reasonable. The findings provide a scientific reference for applied research on FA in the future.
Topics & Concepts
ChemistryBenzeneInfrared spectroscopyCarbon fibersEtherMoleculeOxygenTitrationInorganic chemistryOrganic chemistryMaterials scienceComposite materialComposite numberPlant Growth Enhancement TechniquesHumic Substances and Bio-Organic StudiesAquatic and Environmental Studies