硫脲树脂对水溶液中Cd^(2+)吸附性能的实验研究与理论模拟  

Experimental Analysis and Theoretical Study on the Adsorption of Cadmium Ions by Polythiourea

作　　者：王磊[1] 张宁[1] 和芹[1] Wang Lei;Zhang Ning;He Qin(Department of Chemistry,Tangshan Teacher＇s College,Tangshan 063000,China)

机构地区：[1]唐山师范学院化学系,河北唐山063000

出　　处：《南开大学学报（自然科学版）》2018年第5期85-90,共6页Acta Scientiarum Naturalium Universitatis Nankaiensis

摘　　要：以硫脲与甲醛为原料一步合成含硫脲树脂.采用静态吸附的方法吸附溶液中的Cd^(2+),分别考察温度、时间、初始浓度等因素对吸附量的影响,并进行吸附等温模型模拟.在实验基础上,采用B3LYP方法研究硫脲与Cd^(2+)配位作用特征.发现树脂对Cd^(2+)的吸附在2 h达到吸附平衡,初始浓度为1.000 0 mg·mL-1、pH为6.00时吸附效果最佳,吸附量为19.68 mg·g-1.理论计算显示Cd^(2+)离子与硫脲S配位作用的稳定化能为624.3 kJ/mol,显著高于N配位约163.3 kJ/mol,说明硫脲S原子为主要吸附活性位点.The polythiourea resin was synthesized with thiourea and formaldehyde in one step. The polythiourea resin was used for adsorption of cadmium ions, the effects such as temperature, time, pH and initial concentration were systematically studied, and isotherm model were also studied later. Then the density functional theory B3 LYP method was used to study the coordination characteristics of thiourea and cadmium ion. The experimental results showed that the adsorption basically reached equilibrium at 2 h, when the initial concentration was 1.000 0 mg·ml-1, pH=6.00, the adsorption efficiency achieves best and the maximum adsorption capacity was up to 19.68 mg·g^（-1）. The theoretical calculation showed the stabilization energy of S acting as coordination site was 624.3 kJ/mol, about 163.3 kJ/mol higher than that of the N/N coordination model, which indicated that S atom should be the main coordination site.

关 键 词：硫脲树脂 Cd2+ 吸附 B3LYP 

分 类 号：O655[理学—分析化学]