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Author: Dreyer, Wolfgang × End date: 2019 × End date: 2016 × Type: Text ×

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Now showing 1 - 10 of 34
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    Overcoming the shortcomings of the Nernst-Planck model
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Dreyer, Wolfgang; Guhlke, Clemens; Müller, Rüdiger
    This is a study on electrolytes that takes a thermodynamically consistent coupling between mechanics and diffusion into account. It removes some inherent deficiencies of the popular Nernst-Planck model. A boundary problem for equilibrium processes is used to illustrate the new features of our model.
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    Blow-up versus boundedness in a nonlocal and nonlinear Fokker-Planck equation
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2011) Dreyer, Wolfgang; Huth, Robert; Mielke, Alexander; Rehberg, Joachim; Winkler, Michael
    Literaturverz.
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    A new perspective on the electron transfer: Recovering the Butler-Volmer equation in non-equilibrium thermodynamics
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2015) Dreyer, Wolfgang; Guhlke, Clemens; Müller, Rüdiger
    Understanding and correct mathematical description of electron transfer reaction is a central question in electrochemistry. Typically the electron transfer reactions are described by the Butler-Volmer equation which has its origin in kinetic theories. The Butler-Volmer equation relates interfacial reaction rates to bulk quantities like the electrostatic potential and electrolyte concentrations. Since in the classical form, the validity of the Butler-Volmer equation is limited to some simple electrochemical systems, many attempts have been made to generalize the Butler-Volmer equation. Based on non-equilibrium thermodynamics we have recently derived a reduced model for the electrode-electrolyte interface. This reduced model includes surface reactions and adsorption but does not resolve the charge layer at the interface. Instead it is locally electroneutral and consistently incorporates all features of the double layer into a set of interface conditions. In the context of this reduced model we are able to derive a general Butler-Volmer equation. We discuss the application of the new Butler-Volmer equations to different scenarios like electron transfer reactions at metal electrodes, the intercalation process in lithium-iron-phosphate electrodes and adsorption processes. We illustrate the theory by an example of electroplating.
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    A mixture theory of electrolytes containing solvation effects
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Dreyer, Wolfgang; Guhlke, Clemens; Landstorfer, Manuel
    In this work we present a new mixture theory of a liquid solvent containing completely dissociated ions to study the space charge layer of electrolytes in contact with some inert metal. We incorporate solvation shell effects (i) in our derivation of the mixing entropy and (ii) in the pressure model. Chemical potentials of ions and solvent molecules in the incompressible limit are then derived from a free energy function. For the thermodynamic equilibrium the coupled equation system of mass and momentum balance, the incompressibility constraint and the Poisson equation are summarized. With that we study the space charge layer of the electrolytic solution for an applied half cell potential and compare our results to historic and recent interpretations of the double layer in liquid electrolytes. The novelties of the new model are: (i) coupling of momentum- and mass-balance equations, (ii) calculation of entropic contributions due to solvated ions and (iii) the potential and pressure dependence of the free charge density in equilibrium.
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    Existence of weak solutions for improved Nernst-Planck-Poisson models of compressible reacting electrolytes
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Dreyer, Wolfgang; Druet, Pierre-Étienne; Gajewski, Paul; Guhlke, Clemens
    We consider an improved Nernst-Planck-Poisson model for compressible electrolytes first proposed by Dreyer et al. in 2013. The model takes into account the elastic deformation of the medium. In particular, large pressure contributions near electrochemical interfaces induce an inherent coupling of mass and momentum transport. The model consists of convection-diffusion-reaction equations for the constituents of the mixture, of the Navier-Stokes equation for the barycentric velocity and the Poisson equation for the electrical potential. Cross-diffusion phenomena occur due to the principle of mass conservation. Moreover, the diffusion matrix (mobility matrix) has a zero eigenvalue, meaning that the system is degenerate parabolic. In this paper we establish the existence of a global-in-time weak solution for the full model, allowing for cross-diffusion and an arbitrary number of chemical reactions in the bulk and on the active boundary.
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    The sharp interface limit of the Van der Waals-Cahn-Hilliard phase model for fixed and time dependent domains
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2006) Dreyer, Wolfgang; Kraus, Christiane
    We study the equilibria of liquid--vapor phase transitions of a single substance at constant temperature and relate the sharp interface model of classical thermodynamics to a phase field model that determines the equilibria by the stationary van der Waals--Cahn--Hilliard theory. For two reasons we reconsider this old problem. 1. Equilibria in a two phase system can be established either under fixed total volume of the system or under fixed external pressure. The latter case implies that the domain of the two--phase system varies. However, in the mathematical literature rigorous sharp interface limits of phase transitions are usually considered under fixed volume. This brings the necessity to extend the existing tools for rigorous sharp interface limits to changing domains since in nature most processes involving phase transitions run at constant pressure. 2. Thermodynamics provides for a single substance two jump conditions at the sharp interface, viz. the continuity of the specific Gibbs free energies of the adjacent phases and the discontinuity of the corresponding pressures, which is balanced by the mean curvature. The existing estimates for rigorous sharp interface limits show only the first condition ...
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    The equilibria of vapour-liquid systems revisited
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2007) Dreyer, Wolfgang; Kraus, Christiane
    We study equilibrium conditions of liquid-vapour phase transitions for a single substance at constant temperature. The phase transitions are modelled by a classical sharp interface model with boundary contact energy. We revisit this old problem mainly for the following reasons. Equilibria in a two-phase system can be established either under fixed external pressure or under fixed total volume. These two different settings lead to distinct equilibria, a fact that is usually ignored in the literature. In nature and in most technical processes, the approach of a two-phase system to equilibrium runs at constant pressure, whereas mathematicians prefer to study processes in constant domains, i.e. at constant volume. Furthermore, in the literature the sharp interface of the liquid and the vapour phase is usually described by a surface with high symmetry like a plane interface or a radially symmetric interface which has the shape of the boundary of a ball. In this paper we establish equilibrium conditions for pressure control as well as for volume control with arbitrary shapes of the interface. The results are derived by methods of differential geometry. Further, the common features and differences of pressure and volume control are worked out for some simple cases.
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    A higher gradient theory of mixtures for multi-component materials with numerical examples for binary alloys
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2007) Böhme, Thomas; Dreyer, Wolfgang; Duderstadt, Frank; Müller, Wolfgang H.
    A theory of mixture for multi-component materials is presented based on a novel, straightforward method for the exploitation of the Second Law of thermodynamics. In particular the constitutive equations for entropy, heat and diffusion flux as well as the stress tensor are formulated as a consequence of the non-negative entropy production. Furthermore we derive the established Gibbs equation as well as the Gibbs Duhem relation which also follow from the formalism. Moreover, it is illustrated, how local mechanical strains due to eigenstrains or external loadings, modify the free energy and, consequently, change the chemical potentials of the components. All consecutive steps are illustrated, first, for simple mixtures and, second, for a system containing two different phases. So-called higher gradients of the concentrations are considered, which take the nonuniform composition into account. It will also become apparent that more/other variables of modified/different physical pr oblems beyond the illustrated ones can be easily treated within the presented framework. This work ends with the specification to binary alloys and with the presentation of various numerical simulations.
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    Hysteresis and phase transition in many-particle storage systems
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Dreyer, Wolfgang; Guhlke, Clemens; Herrmann, Michael
    We study the behavior of systems consisting of ensembles of interconnected storage particles. Our examples concern the storage of lithium in many-particle electrodes of rechargeable lithium-ion batteries and the storage of air in a system of interconnected rubber balloons. We are particularly interested in those storage systems whose constituents exhibit non-monotone material behavior leading to transitions between two coexisting phases and to hysteresis. In the current study we consider the case that the time to approach equilibrium of a single storage particle is much smaller than the time for full charging of the ensemble. In this regime the evolution of the probability to find a particle of the ensemble in a certain state, may be described by a nonlocal conservation law of Fokker-Planck type. Two constant parameter control whether the ensemble transits the 2-phase region along a Maxwell line or along a hysteresis path or if the ensemble shows the same non-monotone behavior as its constituents.