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Information × Registration Number 0212U008450, 0112U006570 , R & D reports Title Development of new strategies for the solution of 1d and 2d electrochemical problems for any reaction mechanism popup.stage_title Head Svir Irina Borisovna, Registration Date 12-12-2012 Organization Kharkiv National University of Radioelectronics popup.description2 The project aim is the development of a new mathematical and numerical approach for the modelling of electrochemical reactions in the presence of natural convection as well as dynamic adsorption of reagents and their reactions in the adsorbed state. The research focuses on the study of mathematical models of diffusion-adsorption-reaction processes for any plausible set of electrochemical reactions. Numerical methods of solution of initial and boundary value problems for systems of partial differential equations were employed. The new numerical approach for modelling complex electrochemical processes was extended to ensure the correct determination of initial conditions under voltammetry through full simulation of the rest period of the system while taking into account natural convection, rest potential of the electrode, thermodynamics and kinetics of electrochemical reactions as well as the duration of the rest period before the beginning of the experiment. The enhanced approach allows modelling processes involving dynamic adsorption of reagents and fast reactions both in the solution and in the adsorbed phase at the working electrode surface. A full numerical modelling of all limiting cases of adsorption in voltammetry and transitions between them has been performed within a common framework for the first time. The existence of specific features of slow adsorption processes in voltammetry, which have been shown to be similar to those of the CE reaction, was revealed for the first time. Numerical simulation of the full reaction scheme of electropolymerization with the formation of a polymer film at the electrode surface was performed for the first time on the example of electrochemical synthesis of polypyrrole.5481 Product Description popup.authors Клименко Олексій Вікторович Рудинська Алла Василівна popup.nrat_date 2020-04-02 Close