Method To Characterize Acid鈥揃ase Behavior of Biochar: Site Modeling and Theoretical Simulation
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- 作者：Mi Li ; Qiang Liu ; Zhenjun Lou ; Yang Wang ; Yaping Zhang ; Guangren Qian
- 刊名：ACS Sustainable Chemistry & Engineering
- 出版年：2014
- 出版时间：November 3, 2014
- 年：2014
- 卷：2
- 期：11
- 页码：2501-2509
- 全文大小：621K
- ISSN：2168-0485
文摘
Acid鈥揵ase properties exert important influences on biochar鈥檚 practical application as a soil amendment or contaminant sorbent. In this paper, a model with independent acidic/basic sites coexisting on a biochar surface is proposed to account for the acid鈥揵ase behavior of biochar derived from two invasive species (Spartina alterniflora and water hyacinth). Modeling results show that a three-site model with two acidic sites and one basic site can reflect the acid鈥揵ase behavior of biochar, increasing pyrolysis temperature results in the change in concentration (basic sites increase successively, while acidic sites decrease first and then increase) and strength (individual site dependent) of acidic and basic sites. Both the concentration and strength of the sites play important roles in the acid鈥揵ase behavior of biochar. Theoretical simulations based on modeling results demonstrate that both surface net and local charge should be considered when electrostatic interaction is responsible for the biochar鈥檚 environmental behavior. The site modeling procedure proposed in this study constructs a bridge between macroscopic pH and microscopic sites and is useful to describe the acid鈥揵ase behavior of biomass and biomass-derived biochar.