Multiscale Model for Electrokinetic Transport in Networks of Pores, Part II: Computational Algorithms and Applications
The first part of this two-article series presented a robust mathematical model for the fast and accurate prediction of electrokinetic phenomena in porous networks with complex topologies. In the second part of this series, we first present a numerical algorithm that can efficiently solve the model...
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| Published in: | Langmuir Vol. 33; no. 25; p. 6220 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
27.06.2017
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| ISSN: | 1520-5827, 1520-5827 |
| Online Access: | Get more information |
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| Summary: | The first part of this two-article series presented a robust mathematical model for the fast and accurate prediction of electrokinetic phenomena in porous networks with complex topologies. In the second part of this series, we first present a numerical algorithm that can efficiently solve the model equations. We then demonstrate that the resulting framework is capable of capturing a wide range of transport phenomena in microstructures by considering a hierarchy of canonical problems with increasing complexity. The developed framework is validated against direct numerical simulations of deionization shocks in micropore-membrane junctions and concentration polarization in micro- and nanochannel systems. We demonstrate that for thin pores subject to concentration gradients our model consistently captures correct induced osmotic pressure, which is a macroscopic phenomena originally derived from thermodynamic principles but here is naturally predicted through microscopic electrostatic interactions. Moreover, we show that the developed model captures current rectification phenomena in a conical nanopore subject to an axial external electric field. Finally, we provide discussions on examples involving stationary and moving deionization shocks in micropore nanopore T-junctions as well as induced-flow loops when pores of varying sizes are connected in parallel. |
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| Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 1520-5827 1520-5827 |
| DOI: | 10.1021/acs.langmuir.7b00591 |