Monte Carlo simulations of silica polymerization and network formation
We present a new model and method for the Monte Carlo simulation of silica polymerization
in aqueous solution. We focus on the idea that silica structures are built from corner sharing …
in aqueous solution. We focus on the idea that silica structures are built from corner sharing …
Molecular dynamics simulations of the diffusion of small chain hydrocarbons in 8-ring zeolites
Molecular dynamics (MD) simulations were performed to study the microscopic motion of
methane, ethane, propene, and propane adsorbed in three pure silica zeolites with windows …
methane, ethane, propene, and propane adsorbed in three pure silica zeolites with windows …