Modeling of electrochemical deionization across length scales: Recent accomplishments and new opportunities

Sizhe Liu, Vu Quoc Do, Kyle C. Smith

Research output: Contribution to journalReview articlepeer-review

Abstract

Theoretical models have recently been used to simulate deionization technology by capturing electrochemical processes at atomistic, electrode, and plant length scales in electrodialysis, capacitive deionization using electric double layers, and Faradaic deionization using intercalation materials and redox-active polymers. We review the salient features of such models, identifying their major accomplishments in quantifying energy consumption and ion removal, analyzing the feasibility of large-scale systems, and discovering new electrode materials and understanding their deionization mechanisms. After summarizing strengths and weaknesses of recent modeling strategies, we identify research directions to expand modeling capabilities that can be used to inform electrode material/microstructure design, to assign energy losses to electrode-scale mechanisms, to bridge length scales, and to capture Faradaic kinetic/diffusion processes.

Original languageEnglish (US)
Pages (from-to)72-79
Number of pages8
JournalCurrent Opinion in Electrochemistry
Volume22
DOIs
StatePublished - Aug 2020

Keywords

  • Capacitive deionization
  • Desalination
  • Electrodialysis
  • Faradaic deionization
  • Intercalation
  • Modeling
  • Multiscale
  • Water

ASJC Scopus subject areas

  • Analytical Chemistry
  • Electrochemistry

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