Numerical simulations of paper‐based electrophoretic separations with open‐source tools

Gerlero, Gabriel S.; Damián, Santiago Márquez; Schaumburg, Federico; Franck, Nicolás; Kler, Pablo A.

doi:10.1002/elps.202000315

Cited by 5 publications

(4 citation statements)

References 35 publications

(50 reference statements)

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“…Numerical simulations were performed using OpenFOAM v2112. The solvers selected within the OpenFOAM environment were porousMicroTransport with an LETd model for unsaturated capillary flow [31, 34] and electroMicroTransport solver for electrophoretic separations [1]. All the simulated cases were run on an AMD Ryzen 5 3400G 3.70 GHz (1 CPU, 4 cores), 16 GB Micron 16 GB‐DDR3‐1600 MHz; using one core for serial simulations and four cores for parallel simulations.…”

Section: Methodsmentioning

confidence: 99%

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A simple method for the assessment of electrophoretic mobility in porous media

Franck,

Vera Candioti,

Gerlero

et al. 2023

Electrophoresis

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Developing paper‐based electrophoretic methods involve dealing with significant uncertainty levels when compared to their capillary counterparts. Critical information for developing these kinds of methods are the electrophoretic mobility of background electrolytes and samples. This work presents the design and characterization of a device for measuring the electrophoretic mobilities of dyes in porous media. The device was developed with the aim of validating a previously presented model and also proposing a protocol for the straightforward determination of electrophoretic mobilities in porous media when open‐channel values are already known. Whatman #1 paper was used as a model substrate as far as it is the most common porous medium substrate for paper‐based electrophoresis. The device was designed using a numerical simulation–assisted approach, utilizing OpenFOAM® and specific solvers for capillary transport and electromigration, namely porousMicroTransport and electroMicroTransport, respectively. The electrophoretic mobilities of five dyes were analyzed experimentally with the proposed device. To establish appropriate comparative values at different pHs, experiments in fused silica capillaries were also performed. An effective parameter model for describing the electrophoretic behavior of dyes in porous media, that is, the constriction factor, was found consistent with previous reports for the Whatman #1 paper. This consistency was found after considering (via direct measurements) the chromatographic effect of the medium over each dye. Consequently, the recorded values hold significant worth due to their potential for direct application in designing new experiments or devices in Whatman #1 paper. With the validation of the model through the experiments with the proposed device, those researchers interested on developing electrophoretic methods in porous substrates can make use of the open‐channel electrophoretic mobilities reported in the literature, or in the well‐known software databases, and correct them for the media of interest just by performing two simple characterization steps.

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Section: Methodsmentioning

confidence: 99%

“…Understanding the electrochemical properties of analytes is of great importance in several scientific fields, where analytical chemistry is involved [1]. The precise characterization of molecules is essential to carry out rational designs of biosensors to determine analytes of interest in biological and environmental samples.…”

Section: Introductionmentioning

confidence: 99%

A simple method for the assessment of electrophoretic mobility in porous media

Franck,

Vera Candioti,

Gerlero

et al. 2023

Electrophoresis

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“…Finite-element • 1D simulations of electrophoretic separations [41] COMSOL Multiphysics with user implemented models Finite-element • ITP of proteins in a networked microfluidic chip [101] • Models for studying various aspects of ITP and other CE modes in microchannels [102][103][104][105][106][107][108][109][110][111][112][113] • Nanochannel electrophoresis model allowing deviation from electroneutrality [115] PETSc-FEM Finite-element • 3D simulation model for electrokinetic flow and transport in microfluidic chips [116] • 3D model for high-performance simulation of electrophoretic techniques in microfluidic chips [117] OpenFOAM with user implemented models Finite-volume • Open-source toolbox for 3D electrophoretic separations [118] • Model of electrokinetic transport in microfluidic paperbased systems [119,120] pseudo-spectral method for fast high-resolution numerical simulations of a periodic situation in which the value of any spatially varying physical quantity at the beginning of the column is equal to that at the end [75].…”

Section: Comsol Multiphysics With Electrophoresis Interfacementioning

confidence: 99%

“…It offers native 3D support, EOF calculation, automatic parallel and supercomputing support, and is licensed under the GNU general public license. Recently, a complete mathematical model for electromigration in paper‐based analytical devices was constructed [ 119 ] and applied under the same framework [ 120 ].…”

Section: Dynamic Simulators For Electrokinetic Separationsmentioning

confidence: 99%

Dynamic computer simulations of electrophoresis: 2010–2020

Thormann

Mosher²

2021

Electrophoresis

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The transport of components in liquid media under the influence of an applied electric field can be described with the continuity equation. It represents a nonlinear conservation law that is based upon the balance laws of continuous transport processes and can be solved in time and space numerically. This procedure is referred to as dynamic computer simulation. Since its inception four decades ago, the state of dynamic computer simulation software and its use has progressed significantly. Dynamic models are the most versatile tools to explore the fundamentals of electrokinetic separations and provide insights into the behavior of buffer systems and sample components of all electrophoretic separation methods, including moving boundary electrophoresis, CZE, CGE, ITP, IEF, EKC, ACE, and CEC. This article is a continuation of previous reviews (Electrophoresis 2009, 30, S16-S26 and Electrophoresis 2010, 31, 726-754) and summarizes the progress and achievements made during the 2010 to 2020 time period in which some of the existing dynamic simulators were extended and new simulation packages were developed. This review presents the basics and extensions of the three most used one-dimensional simulators, provides a survey of new one-dimensional simulators, outlines an overview of multi-dimensional models, and mentions models that were briefly reported in the literature. A comprehensive discussion of simulation applications and achievements of the 2010 to 2020 time period is also included.

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