One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

Gabitto, Jorge; Tsouris, Costas

doi:10.3390/colloids2010004

Title: One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

Journal Article · 19 January 2018 · Colloids and Interfaces

DOI: https://doi.org/10.3390/colloids2010004 · OSTI ID:1422528

Gabitto, Jorge ^[1];

^[2]

Prairie View A&M Univ., Prairie View, TX (United State). Dept. of Chemical Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Energy storage in porous capacitor materials, capacitive deionization (CDI) for water desalination, capacitive energy generation, geophysical applications, and removal of heavy ions from wastewater streams are some examples of processes where understanding of ionic transport processes in charged porous media is very important. In this work, one- and two-equation models are derived to simulate ionic transport processes in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two-step volume averaging technique is used to derive the averaged transport equations for multi-ionic systems without any further assumptions, such as thin electrical double layers or Donnan equilibrium. A comparison between both models is presented. The effective transport parameters for isotropic porous media are calculated by solving the corresponding closure problems. An approximate analytical procedure is proposed to solve the closure problems. Numerical and theoretical calculations show that the approximate analytical procedure yields adequate solutions. Lastly, a theoretical analysis shows that the value of interphase pseudo-transport coefficients determines which model to use.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1422528

Journal Information:: Colloids and Interfaces, Vol. 2, Issue 1; ISSN 2504-5377

Country of Publication:: United States

Language:: English

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