Thermodynamics of Ionic Transport through Functionalized Membranes

ORAL

Abstract

Through microphase separation of block copolymers, highly porous solid membranes may be assembled. Further functionalization with amine and sulfonic acid groups has demonstrated promise in exquisitely controlling the flux of charged species, and in particular multivalent ions. Using coarse-grained molecular simulations, we explore the essential thermodynamics underlying salt rejection in charge-functionalized membranes, and develop a model capable of linking the performance of these membranes to their molecular character through free energy calculations.

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Authors

  • Vikramjit Rathee

    • Chemical and Biomolecular Engineering, University of Notre Dame

  • Siyi Qu

    • Chemical and Biomolecular Engineering, University of Notre Dame

  • Theodore Dilenschneider

    • Chemical and Biomolecular Engineering, University of Notre Dame

  • William A. Phillip

    • Chemical and Biomolecular Engineering, University of Notre Dame

  • Jonathan K. Whitmer

    • Chemical and Biomolecular Engineering, University of Notre Dame
    • University of Notre Dame
    • Notre Dame