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Faculté des Sciences
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Controlling ion transport through nanopores : introducing realistic model parameters

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Mádai, Eszter ULiège
Promotor(s) : Leyh, Bernard ULiège ; Nguyen, Ngoc Duy ULiège
Date of defense : 29-Jun-2020 • Permalink : http://hdl.handle.net/2268.2/9131
Details
Title : Controlling ion transport through nanopores : introducing realistic model parameters
Author : Mádai, Eszter ULiège
Date of defense  : 29-Jun-2020
Advisor(s) : Leyh, Bernard ULiège
Nguyen, Ngoc Duy ULiège
Committee's member(s) : Vertruyen, Bénédicte ULiège
Raty, Jean-Yves ULiège
Vanderheyden, Benoît ULiège
Language : English
Number of pages : 90
Keywords : [en] nanopore
[en] modelling
[en] simulation
[en] nanodevice
[en] nanofluidic transistor
Discipline(s) : Physical, chemical, mathematical & earth Sciences > Chemistry
Target public : Researchers
Professionals of domain
Student
Institution(s) : Université de Liège, Liège, Belgique
Degree: Master en sciences chimiques, à finalité approfondie
Faculty: Master thesis of the Faculté des Sciences

Abstract

[en] Synthetic bioinspired nanopores can be applied as nanodevices for sensing, filtering and ionic gating.With the connection of these individual devices complex nanofluidic circuits can be designed that can be useful to create lab-on-a-chip devices. Thus, the study of the individual devices, such as nanosensors, nanofluidic diodes and nanofluidic transistors, is indispensable.
The behaviour of these devices and the mechanisms behind it however, only can be accessed through simulations.
In this thesis two simulation methods, the Nernst-Planck equation coupled to Local Equilibrium Monte Carlo (NP+LEMC) method and the Poisson-Nernst-Planck (PNP) theory, are compared based on the study of the behaviour of a pH-gated nanofluidic transistor. To relate to experiments, realistic model parameters will be introduced for the pH-gating and the electrolyte models.
The device behaviour, assessed through concentration profiles, and scaling effect will be examined using these new model parameters and appropriate scaling coefficients with respect for the different computational methods. Furthermore, the importance of the proper treatment of ionic correlations will be presented through the comparison of the results obtained by the two simulation methods.


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Author

  • Mádai, Eszter ULiège Université de Liège > Master en sc. chimiques, à fin. (AMIS)

Promotor(s)

Committee's member(s)

  • Vertruyen, Bénédicte ULiège Université de Liège - ULiège > Département de chimie (sciences) > Chimie inorganique structurale
    ORBi View his publications on ORBi
  • Raty, Jean-Yves ULiège Université de Liège - ULiège > Département de physique > Physique des solides, interfaces et nanostructures
    ORBi View his publications on ORBi
  • Vanderheyden, Benoît ULiège Université de Liège - ULiège > Dép. d'électric., électron. et informat. (Inst.Montefiore) > Electronique et microsystèmes
    ORBi View his publications on ORBi
  • Total number of views 35
  • Total number of downloads 12










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