Chen Dandan, Dou Yuhao, Tang Qin, Huang Yaji, Song Min, Peng Feirong
Engineering Laboratory for Energy System Process Conversion & Emission Control Technology of Jiangsu Province, School of Energy & Mechanical Engineering, Nanjing Normal University, Nanjing 210023, China.
Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education, School of Energy and Environment, Southeast University, Nanjing 210096, China.
ACS Omega. 2020 Jun 23;5(26):15891-15900. doi: 10.1021/acsomega.0c00995. eCollection 2020 Jul 7.
A combination of hydrothermal treatment and FeSO/Ca(ClO) oxidation was developed in our previous work and was proved to be significantly useful for improving the sludge dewaterability. The dewatering mechanism of the sludge after the combined treatment of hydrothermal treatment and FeSO·7HO/Ca(ClO) was obtained for the first time based on the moisture distribution analysis. Moreover, the noncovalent interaction between the hydrophilic sites of sludge EPS in sludge and water molecules was studied for the first time by using density functional theory. The electrostatic potentials of three representative EPS molecules, that is, dextran, poly-gamma-glutamate, and poly-l-lysine, were calculated and analyzed. AIM and RDG of the representative EPS·water complex models were calculated to study the noncovalent interaction mechanism. The moisture distribution and noncovalent interactions analyzed in this paper will provide information for improving sludge dewatering performance.
在我们之前的工作中开发了水热处理和FeSO₄/Ca(ClO)₂氧化相结合的方法，并且已证明该方法对改善污泥脱水性能非常有效。基于水分分布分析，首次获得了水热处理与FeSO₄·7H₂O/Ca(ClO)₂联合处理后污泥的脱水机理。此外，首次利用密度泛函理论研究了污泥中污泥胞外聚合物（EPS）亲水位点与水分子之间的非共价相互作用。计算并分析了三种代表性EPS分子（即葡聚糖、聚γ-谷氨酸和聚-L-赖氨酸）的静电势。计算了代表性EPS·水络合物模型的AIM和RDG，以研究非共价相互作用机理。本文分析的水分分布和非共价相互作用将为改善污泥脱水性能提供信息。
