Computational electrochemistry: Lattice Boltzmann simulations of voltammetry at microelectrodes |
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| Affiliation: | 1. Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China;2. School of Materials Science and Engineering, Beihang University, Beijing 100191, China;1. Department of Chemical Science and Technologies, University of Rome “Tor Vergata”, Via della Ricerca Scientifica, 00133 Rome, Italy;2. Laboratory of Chemistry & Biomaterials, IRC-Integrated Research Center, University Campus Bio-Medico of Rome, via Alvaro del Portillo 21, 00128 Rome, Italy;1. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Alexandria University, Alexandria, 21521, Egypt;2. Department of Pharmacology and Toxicology, Faculty of Medicine and Medical Centre, American University of Beirut, Beirut, Lebanon;3. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafr El-Sheikh, 33516, Egypt;4. Department of Medical Biochemistry, Faculty of Medicine, Alexandria University, Egypt;5. School of Biological Sciences, The University of Adelaide, Adelaide, South Australia, 5005, Australia;6. Institute for Photonics and Advanced Sensing, The School of Biological Sciences, The University of Adelaide, North Tce, Adelaide, South Australia, 5005, Australia;7. Fraunhofer Institute for Molecular Biology and Applied Ecology IME, Project Group Translational Medicine & Pharmacology TMP, Theodor-Stern-Kai 7, 60596, Frankfurt, Germany;8. Institute of Biochemistry I, Faculty of Medicine, Goethe-University Frankfurt, Theodor-Stern-Kai 7, 60596, Frankfurt, Germany;9. Department of Analytical & Pharmaceutical Chemistry, Faculty of Pharmacy & Drug Manufacturing, Pharos University in Alexandria, Egypt;10. Department of Pharmacology and Toxicology, Faculty of Pharmacy, Alexandria University, Alexandria, 21521, Egypt |
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| Abstract: | This paper describes the development of a two-dimensional lattice Boltzmann method for the simulation of mass transport at a range of microelectrode geometries using potential step and linear sweep voltammetric techniques. The simulations of the current response for microband and micro hemicylinder geometries were compared with previously published analytical solutions. Excellent agreement between the numerical models and the analytical solutions was observed for a series of experimental parameters. To illustrate the flexibility of the lattice Boltzmann method the simulation of the current response for a range of electrode geometries, distorted from microband electrode geometry to micro hemicylinder electrode, is also described. |
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