Parametric Study on the Effect of Partial Charge on Water Infiltration Behavior in MFI Zeolites

Parametric Study on the Effect of Partial Charge on Water Infiltration Behavior in MFI Zeolites

This work analyzes the infiltration behavior of water into sub-nanometer MFI zeolite pores using molecular dynamics simulations. Infiltration simulations are run for a range of partial charge values on the zeolite atoms. Infiltration behavior is compared to partial charges to verify dependence and d...

Full description

Bibliographic Details
Main Authors: Vaartstra, Geoffrey A., Maroo, Shalabh C., Humplik, Thomas, Wang, Evelyn
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering
Format: Article
Published: ASME International 2019
Online Access:http://hdl.handle.net/1721.1/120736
https://orcid.org/0000-0001-7045-1200

Internet

http://hdl.handle.net/1721.1/120736
https://orcid.org/0000-0001-7045-1200

Similar Items