Dr. Daniela Kohen

These researchers are interested in better understanding the role of cations in the adsorption and diffusion of light gases within zeolites. Most zeolites contain cations. These cations sometimes block diffusion for all adsorbents, but at other times they seem to facilitate selective adsorption. This project uses classical and ab initio molecular dynamics to elucidate their role. The group is also interested in H transfer within zeolites.