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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 20: 10th Liblice Conference on the Statistical Mechanics of Liquids
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Liblice 2018 Special Issue

Controlling ionic current through a nanopore by tuning pH: a local equilibrium Monte Carlo study

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Pages 2793-2801 | Received 17 Sep 2018, Accepted 15 Nov 2018, Published online: 07 Jan 2019
 

ABSTRACT

The purpose of this work is to create a model of a nanofluidic transistor which is able to mimic the effects of pH on nanopore conductance. The pH of the electrolyte is an experimentally controllable parameter through which the charge pattern can be tuned: pH affects the ratio of the protonated/deprotonated forms of the functional groups anchored to the surface of the nanopore (for example, amino and carboxyl groups). Thus, the behaviour of the bipolar transistor changes as it becomes ion selective in acidic/basic environments. We relate the surface charge to pH and perform particle simulations (Local Equilibrium Monte Carlo) with different nanopore geometries (cylindrical and double conical). The simulations form a self consistent system with the Nernst–Planck equation with which we compute ionic flux. We discuss the mechanism behind pH-control of ionic current: formation of depletion zones.

GRAPHICAL ABSTRACT

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

We gratefully acknowledge the financial support of the National Research, Development and Innovation Office [NKFIH K124353]. We acknowledge the financial support of Széchenyi 2020 [EFOP-3.6.1-16-2016-00015].

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