Ø  蒙脱石遇水膨胀性及动力学性质

蒙脱石粘土为2：1层型结构，天然粘土片在形成过程中与金属离子发生同心置换作用，导致片层出现弱负电性  。图中为MD模拟蒙脱石体系在脱水、一、二和三层水化条件下的分子机构。模拟结果表明，随着含水量的增加，粘土晶体持续膨胀，层间阳离子有水化作用，能够吸附水分子形成较大团粒。

Ø  粘土材料对放射性核素的吸附作用

分子动力学模拟结果表示，放射性核素釉酰离子能与粘土表面形成稳定的双键内接复合物。并能与层间可交换离子发生反应形成复杂的复合物。釉酰离子与粘土表明的吸附能受层间阳离子种类及电荷量影响而不同。

Yang, W., Zaoui, A., Sequestration of CO2 in the interlayer sapce of hydrated Montmorillonite clay under various geologica burial depth. Physica A Statistical Mechanics,2016, 449, 416-425

      Capture and sequestration of carbon dioxide.pdf

Yang, W., Zaoui, A., Swelling and diffusion behaviour of Na-Vermiculite at different hydrated states. Solid State Ionics, 2015, 281, 13-17.

       Swelling and diffusion behaviour of Na vermiculite at different hydrated states.pdf

Yang, W., Zaoui, A., Behind adhesion of uranyl onto montmorillonite surface: A molecular Dynamics study. Journal of hazardous materials, 2014, 681, 224-234.

       Behind adhesion of uranyl onto montmorillonite surface A molecular dynamics study.pdf

Yang, W., Zaoui, A., Uranyl adsorption on (001) surfaces of kaolinite: A molecular dynamics study, Applied Clay Science, 2013, 80, 98-106.

       Behind adhesion of uranyl onto montmorillonite surface A molecular dynamics study.pdf