天然海水中痕量重金属元素种态分布的数值模拟  

Numerical simulation on the species distribution of trace heavy metals in natural seawater

作　　者：夏彧[1] 徐真[1] 马英杰[1] 陈浩峰[1] 王雷[1] 李崇瑛[2] 

机构地区：[1]成都理工大学地学核技术四川省重点实验室,成都610059 [2]成都理工大学材料与化学化工学院,成都610059

出　　处：《桂林理工大学学报》2016年第3期597-602,共6页Journal of Guilin University of Technology

基　　金：国家自然科学基金项目(11475036);四川省高等学校科技创新团队建设计划项目(12TD001)

摘　　要：热力学数据是元素种态计算的基础,在PHREEQC原有数据库的基础上利用HSC Chemistry v6.0软件计算得到的log K与Delta_h(自由能变化)对重金属元素Cu、Cd热力学数据进行了补充,进而研究了重金属元素Cu、Cd、Zn、Pb在天然海水中种态分布的影响因素及变化规律。结果表明:天然海水中重金属元素Cu、Cd、Zn、Pb的种态分布需考虑pH的影响,温度对其种态分布有影响但不显著;而海水中典型的变价重金属元素的种态还需讨论pE(平衡状态下的电子活度)的影响,这对今后关于水质重金属元素种态的研究提供了基础支撑。PHREEQC software was employed to study the chemical species distribution and variation of heavy metal elements cadmium and copper in natural seawater based on the supplementary thermodynamic data of cadmium and copper which acquired log K and Delta-h by the HSC chemistry v6. 0 software. Futhermore,the influence factors and changing laws of heavy mental elements Cu,Cd,Zn,Pb species distribution in natural seawater were researched. The results show that chemical species distribution of trace heavy metal elements Cu, Cd, Zn, Pb in seawater should be given priority to the effect on pH, temperature, but not remarkable. However, chemical species need to focus on the impact of pE for the typical price changes of heavy metal elements in natural seawater. It provides the basic support for future research on water quality chemical species of heavy metals elements.

关 键 词：海水 痕量元素 种态分布 数值模拟 

分 类 号：P734.21[天文地球—海洋化学]