有机物/磷酸盐多组分电解质水溶液与铁系氧化物的表面络合反应机制和模型研究

项目名称： 有机物/磷酸盐多组分电解质水溶液与铁系氧化物的表面络合反应机制和模型研究

项目编号： No.21307075

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 环境科学、安全科学

项目作者： 毛岩鹏

作者单位： 山东大学

项目金额： 24万元

中文摘要： 天然有机物、磷酸盐、铁系氧化物都是自然界中稳定存在的化合物，与之相关的两个科学问题需要研究和总结，分别是多组分电解质水溶液与铁系氧化物的表面络合反应机制问题；有机物官能团对磷酸盐在水体中迁移转化过程的影响机理。本课题采用三种表面络合反应模型（扩散双电层模型，三电层模型，电荷分布多位络合模型），针对有机物/磷酸盐与铁系氧化物组成的多组分两相体系，研究多条件下不同铁系氧化物的表面性质；探索不同官能团有机物、磷酸盐在铁系氧化物的表面赋存形态；反演建立有机物官能团与铁系氧化物的表面络合反应平衡常数。通过以上研究，总结不同铁系氧化物表面形态参数随外部条件的变化规律，并建立与之对应的数学关系式，形成表面络合反应模型数据库中有机物/磷酸盐在铁系氧化物表面的赋存形态单，将有机物与铁系氧化物的表面吸附作用纳入多相多组分电解质水溶液体系的热力学模型中,完善相关表面络合模型的平衡常数数据库。

中文关键词： 铁系氧化物；磷酸盐；有机物；固液表面络合反应模型；竞争反应

英文摘要： Natural Organics, phosphate and iron oxides are stable compound in nature, which bring two basic scientific issues worth studying, including the mechanism of surface complexation reactions between multicomponent electrolyte solutions and Iron oxides, and the effect mechanism of organic functional groups on the translocation and transformation of phosphate in water. In our subject, aiming at the multicomponent and two-phase system composed of organic with varying functional groups, phosphate and iron oxides, three surface complexation models(DLM,TLM and CD-MUSIC) will be used to study the surface characters of different iron oxides, find the species of organic with varying functional groups and phosphate on iron oxides surface and inverse the equilibrium constants of surface complexation reactions between organic functional groups and iron oxides. Three research objectives are expected. Firstly, the surface character parameters variation following external conditions would be concluded as the mathematical relationship. Secondly, the speciation file of organic and phosphate on iron oxides surface would be added into surface complexation models. Thirdly, the surface complexation reaction between organic and iron oxides in multicomponent electrolyte system would be brought into the thermodynamic model by improving t

英文关键词： AFO；Phosphate；Organics；Surface complexation models；Competition kinetics