Water infiltration in zsm-5 zeolites: Effect of pore volume and water structure

Shalabh C. Maroo, Tom Humplik, Tahar Laoui, Evelyn N. Wang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

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.

Original languageEnglish (US)
Title of host publicationASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012
Pages625-631
Number of pages7
DOIs
StatePublished - Dec 1 2012
EventASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012 - Atlanta, GA, United States
Duration: Mar 3 2012Mar 6 2012

Publication series

NameASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012

Other

OtherASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012
CountryUnited States
CityAtlanta, GA
Period3/3/123/6/12

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes

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  • Cite this

    Maroo, S. C., Humplik, T., Laoui, T., & Wang, E. N. (2012). Water infiltration in zsm-5 zeolites: Effect of pore volume and water structure. In ASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012 (pp. 625-631). (ASME 2012 3rd International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2012). https://doi.org/10.1115/MNHMT2012-75322