Cellulose acetate membranes exhibit exceptional monovalent to divalent cation selectivities

Irving, Paul R.; Reimund, Kevin K.; Zofchak, Everett S.; Marioni, Nico; Freeman, Benny D.; Ganesan, Venkat

doi:10.1016/j.memsci.2024.122892

Cellulose acetate membranes exhibit exceptional monovalent to divalent cation selectivities

Journal Article · Wed May 22 00:00:00 EDT 2024 · Journal of Membrane Science

DOI:https://doi.org/10.1016/j.memsci.2024.122892· OSTI ID:2377203

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University of Texas at Austin, TX (United States); University of Texas at Austin
University of Texas at Austin, TX (United States)

Salt transport properties of cellulose acetate membranes are reported for a series of chloride salts with mono- valent and divalent cations (LiCl, NaCl, MgCl₂, CaCl₂). Measurements include salt permeability and sorption, with diffusivity values calculated from the permeability and sorption results. We report an exceptionally high LiCl/MgCl₂ selectivity of 750:1. Salts with similar valence (LiCl and NaCl; MgCl₂ and CaCl₂) have similar transport properties. The high monovalent/divalent selectivity arises from differences in both sorption and diffusion, with a LiCl/MgCl₂ solubility selectivity of about 11 and a diffusivity selectivity of about 70. Atomistic molecular dynamics simulations show that ions tend to reside in isolated clusters of water. Increasing ion charge strengthens ion–water interactions relative to ion–polymer interactions, explaining the reduced sorption of divalent ions. Diffusion of ions through the membrane occurs via hop-like motion between water clusters. Lithium diffuses faster than magnesium due to weaker ion–water coordination for lithium, which allows for greater mobility within water clusters and more frequent hopping. Altogether, our atomistic simulations suggest that the high LiCl/MgCl₂ selectivity is linked to cellulose acetate’s high water/salt selectivity and is a consequence of low water content and relatively uniform water distribution.

View Accepted Manuscript (DOE)

Research Organization:: University of Texas at Austin, TX (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019272

OSTI ID:: 2377203

Alternate ID(s):: OSTI ID: 2369810

Journal Information:: Journal of Membrane Science, Journal Name: Journal of Membrane Science Vol. 706; ISSN 0376-7388

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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