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Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response

[Image: see text] Computer simulations of ion-selective membrane electrodes using diffusion layer models based on finite-differences principle for calculating diffusion processes in both phases and taking into account the local ion exchange equilibrium at the interface are successfully used for clar...

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Autores principales: Egorov, Vladimir V., Novakovskii, Andrei D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649265/
https://www.ncbi.nlm.nih.gov/pubmed/31459419
http://dx.doi.org/10.1021/acsomega.8b02926
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author Egorov, Vladimir V.
Novakovskii, Andrei D.
author_facet Egorov, Vladimir V.
Novakovskii, Andrei D.
author_sort Egorov, Vladimir V.
collection PubMed
description [Image: see text] Computer simulations of ion-selective membrane electrodes using diffusion layer models based on finite-differences principle for calculating diffusion processes in both phases and taking into account the local ion exchange equilibrium at the interface are successfully used for clarifying and even predicting the influence of different diffusion factors on several time-dependent characteristics of electrodes. It is shown here that a well-established approach based on the assumption of the constant concentration of the interfering ion in the sample solution fails for solutions containing strongly interfering ions where the concentration of the interfering ion in the boundary layer of the solution can be far lower in comparison with its concentration in the bulk. The limitation is demonstrated by a drastic discrepancy between experimental and calculated curves for the dependence of potential on time. This limitation can be overcome by taking into account the change of the interfering ion concentration in the boundary layer in accordance with the electroneutrality condition. A good agreement between simulation results and experimental data is demonstrated.
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spelling pubmed-66492652019-08-27 Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response Egorov, Vladimir V. Novakovskii, Andrei D. ACS Omega [Image: see text] Computer simulations of ion-selective membrane electrodes using diffusion layer models based on finite-differences principle for calculating diffusion processes in both phases and taking into account the local ion exchange equilibrium at the interface are successfully used for clarifying and even predicting the influence of different diffusion factors on several time-dependent characteristics of electrodes. It is shown here that a well-established approach based on the assumption of the constant concentration of the interfering ion in the sample solution fails for solutions containing strongly interfering ions where the concentration of the interfering ion in the boundary layer of the solution can be far lower in comparison with its concentration in the bulk. The limitation is demonstrated by a drastic discrepancy between experimental and calculated curves for the dependence of potential on time. This limitation can be overcome by taking into account the change of the interfering ion concentration in the boundary layer in accordance with the electroneutrality condition. A good agreement between simulation results and experimental data is demonstrated. American Chemical Society 2019-01-18 /pmc/articles/PMC6649265/ /pubmed/31459419 http://dx.doi.org/10.1021/acsomega.8b02926 Text en Copyright © 2019 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Egorov, Vladimir V.
Novakovskii, Andrei D.
Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title_full Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title_fullStr Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title_full_unstemmed Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title_short Overcoming of One More Pitfall in Boundary Element Calculations with Computer Simulations of Ion-Selective Electrode Response
title_sort overcoming of one more pitfall in boundary element calculations with computer simulations of ion-selective electrode response
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649265/
https://www.ncbi.nlm.nih.gov/pubmed/31459419
http://dx.doi.org/10.1021/acsomega.8b02926
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