摘要
地表中超过70%的黏土属混合层类型,了解其溶胀行为对减少膨胀土地质灾害和矿业研究开发至关重要。通过编写水分子插入和相互作用能计算分子动力学脚本,通过比较最主要的伊-蒙混合层黏土与纯蒙脱石之间溶胀行为的差异,捕捉了基础层间距、相互作用能随水化量的变化情况。结果表明:由于不对称的内层与混合的平衡阳离子,混合层黏土相比于蒙脱石有着更小的溶胀;随着水化量增加,黏土与黏土之间、黏土与阳离子间的相互作用能不断下降,而黏土与水之间的相互作用能则增加,并且促进溶胀;库仑相互作用起着主要的、积极性的作用。研究揭示了混合层黏土的溶胀及黏土-水相互作用机制,为减少黏土膨胀、实现岩土灾害宏(微)观防治奠定了基础。
More than 70%of clay in the ground surface belongs to mixed layer type.Understanding its swelling behavior is very important for reducing expansive soil geological disasters and mining research and development.The difference of swelling behavior between the most important illite-montmorillonite mixed layer clay and pure montmorillonite was compared by writing a molecular dynamics script for calculating water molecule insertion and interaction energy.The changes of interlayer spacing and interaction energy with hydration amount were captured.The results are concluded as follows.Due to the asymmetric inner layer and mixed equilibrium cations,the mixed layer clay has a smaller swelling than montmorillonite.With the increase of hydration amount,the interaction energies of clay-clay and clay-cation decreases,while the interaction energy of clay-water increases and promotes swelling.Coulomb interaction plays a major and positive role.The study reveals the swelling mechanism of mixed layer clay and clay-water interaction,which lays a foundation for reducing clay swelling and realizing macro(micro)prevention and control of geotechnical disasters.
作者
杨宇
徐国元
YANG Yu;XU Guoyuan(School of Civil Engineering and Transportation,South China University of Technology,Guangzhou,Guangdong 510641,China)
出处
《矿业研究与开发》
CAS
北大核心
2022年第12期92-99,共8页
Mining Research and Development
基金
国家自然科学基金项目(11672108)
国际(地区)合作研究与交流项目(11911530692)。
关键词
混合层黏土
分子动力学
水分子插入
溶胀机制
相互作用能
Mixed layer clay
Molecular dynamics(MD)
Water molecule insertion
Swelling mechanism
Interaction energy
