Water Infiltration in ZSM-5 Zeolites: Effect of Pore Volume and Water Structure
Author(s)
Laoui, Tahar
Maroo, Shalabh
Humplik, Thomas
Wang, Evelyn
Date Issued
March 2012
Journal
ASME 2012 Third International Conference on Micro/Nanoscale Heat and Mass Transfer
Publisher
ASME International
Citation
Maroo, Shalabh C., Tom Humplik, Tahar Laoui, and Evelyn N. Wang. “Water Infiltration in ZSM-5 Zeolites: Effect of Pore Volume and Water Structure.” Proceedings of the ASME 2012 Third International Conference on Micro/Nanoscale Heat and Mass Transfer, 3-6 March 3, 2012, Atlanta, Georgia, ASME, 2012. © 2012 by ASME
Version
Final published version
Abstract
This study investigates the infiltration of water in ZSM-5 zeolite crystals via molecular dynamics simulations and experiments. A zeolite nano-crystal is constructed in the simulations and is surrounded by water molecules which enter and saturate the pores. The average number of water molecules per unit cell of the zeolite is determined along with the radial distribution function of water inside the zeolites. A geometric approximation of the zeolite pores and intersections is proposed and verified. Partial charge on the zeolite atoms is found to be a crucial parameter which governs the water infiltration behavior. ZSM-5 zeolite crystals were also synthesized and water infiltration experiments were conducted using an Instron. The simulation and experimental findings are compared and discussed. The understanding gained from these studies will be important for the development of zeolite based reverse osmosis membranes for water desalination. Topics: Water
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1115/MNHMT2012-75322
