%0 Dataset %T Data set for evaluating the adsorption of organic functionalized silica nanoparticles to heavy metals (March 2019) %J National Cryosphere Desert Data Center %I National Cryosphere Desert Data Center(www.ncdc.ac.cn) %U http://www.ncdc.ac.cn/portal/metadata/0c56714e-3378-43af-a884-626b9bd0ac7f %W NCDC %R 10.12072/ncdc.UTCMW.db2163.2022 %A Yang Liming %K Silica nanoparticles;adsorption materials;surface functionalization %X Organic functionalized SiO 2 nanoparticles are considered to be a promising heavy metal adsorption material. However, the actual adsorption capacity of specific functional groups on SiO 2 surface is not clear, which leads to the debate on which kind of organic groups have better affinity for heavy metals. Here, the surface functionalization of SiO 2 (- EDTA (ethylenediamine triacetic acid), - COOH, - SO3H, -SH and -NH2) is carried out through a simple silylation reaction. Batch experiments show that surface functionalization can significantly improve the adsorption capacity of SiO 2. Quantitative analysis showed that 1 mol EDTA grafted on the surface of SiO2 could adsorb 1.51 mol Pb (II) ions, which were 7.7, 17.1, 28.4 and 50.2 times higher than COOH-, SO3H-, SH- and -NH2 functionalized SiO2, respectively. This is the first time to evaluate the adsorption of functionalized SiO2 by each effective functional group, which makes up for the deficiency of the traditional evaluation method of calculating the adsorption per unit mass. Through experimental and theoretical research, the adsorption mechanism of functionalized silica was determined and revealed. This work not only provides an effective adsorbent for heavy metal remediation, but also provides valuable insights for the evaluation and design of new silica based materials.To evaluate the adsorption of organic functionalized silica nanoparticles to heavy metals: quantitative comparison and mechanical insight data set were obtained by experimental method. The data format was decimal (. XLS), and the amount of data was 3 groups, a total of 8640 data.