Zhibo Shi, Liyi Li, Yong Han, Jie Bai
Department of Electrical Engineering, Harbin Institute of Technology Harbin 150001 China.
College of Electronic Information and Automation, Civil Aviation University of China Tianjin 300300 China
RSC Adv. 2018 Nov 16;8(68):38706-38714. doi: 10.1039/c8ra08349e.
A detailed analysis of structural properties and dynamic properties of ferric chloride aqueous solution under external electrostatic fields with different intensities was performed by molecular dynamics (MD) simulations. The effects on the ferric chloride aqueous solution caused by using an electrostatic field were examined in terms of the radial distribution function of the Fe ion and water molecule/Cl, coordination number of water/Cl around the Fe ion, characteristics of hydrogen bonds, solution viscosity, and how these effects influence the hydrolysis process of the Fe ion. The goal behind the study is to attain additional insights into the mechanism of electrocoagulation when ferric chloride is used as coagulant, and provide a fundamental basis for the practical use of this technology.
通过分子动力学（MD）模拟，对不同强度外部静电场下氯化铁水溶液的结构性质和动力学性质进行了详细分析。从铁离子与水分子/氯离子的径向分布函数、铁离子周围水/氯离子的配位数、氢键特征、溶液粘度以及这些效应如何影响铁离子的水解过程等方面，研究了静电场对氯化铁水溶液的影响。该研究的目的是进一步深入了解以氯化铁为混凝剂时电凝聚的机理，并为该技术的实际应用提供基础依据。
