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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| Vydáno v: | Langmuir Ročník 33; číslo 25; s. 6220 |
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| Hlavní autoři: | , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
| Vydáno: |
United States
27.06.2017
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| ISSN: | 1520-5827, 1520-5827 |
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| Abstract | 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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| AbstractList | 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. 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.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. |
| Author | Alizadeh, Shima Mani, Ali |
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| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/28509560$$D View this record in MEDLINE/PubMed |
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| CitedBy_id | crossref_primary_10_1186_s40486_020_00108_x crossref_primary_10_1007_s13206_024_00161_3 crossref_primary_10_1016_j_jcis_2019_11_084 crossref_primary_10_3390_mi11040400 crossref_primary_10_1016_j_jcis_2019_07_074 crossref_primary_10_1016_j_cocis_2022_101591 crossref_primary_10_1016_j_electacta_2022_141220 crossref_primary_10_1209_0295_5075_130_34003 crossref_primary_10_1007_s10665_019_10024_8 crossref_primary_10_1016_j_jcis_2020_12_125 crossref_primary_10_1016_j_jcis_2019_06_023 |
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| Title | Multiscale Model for Electrokinetic Transport in Networks of Pores, Part II: Computational Algorithms and Applications |
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