Enhancing Geosynthetic Clay Liner Performance through Modified Bentonite: A Molecular Dynamics Study

Abstract

Geosynthetic clay liners (GCLs) are crucial components in waste containment systems, offering 
effective barriers against fluid migration in landfills and other environmental applications. 
Bentonite, a key constituent of GCLs, possesses desirable properties such as high swelling 
capacity and low permeability. However, challenges in GCL performance, such as reduced 
durability and effectiveness under certain conditions, necessitate further enhancement strategies. 
This paper presents a molecular dynamics study aimed at improving GCL performance through 
the modification of bentonite. By employing molecular dynamics simulations, we investigate the 
structural and mechanical properties of modified bentonite at the atomic scale. Various 
modification techniques, including cation exchange and intercalation, are explored to assess 
their impact on bentonite's swelling behavior, permeability, and overall performance as part of 
GCLs. The findings from this study offer valuable insights into the molecular-level mechanisms 
underlying GCL performance enhancement, providing a foundation for the development of more 
durable and effective environmental containment systems.