The Effect of Biopolymer Pore Fluids on Soil Properties Using Molecular Dynamics Simulations

Amending the composition of pore fluids by adding biopolymers can increase soil cohesion and improve the properties of soils. These advancements, however, mostly rely on trial and error in identifying the most suitable biopolymer. In this study, we show that we can model the properties of biopolymer pore fluids using coarse-grained molecular dynamics simulations. We model the effect of adding charged biopolymers, in the presence of nano-clay fillers, on the properties of pore fluids and their effect on improving soil cohesion. Our simulations show that these biopolymers form biogels that can absorb large amounts of water and potentially serve as a sustainable alternative for soil-strengthening purposes. We investigate the effect of charge distribution on gelation and structure formation in our system. Our results show that the physical properties of the gel can be controlled by the types of interactions between chains and nanofillers.