Electrochemistry Module

Model Electroanalysis, Electrolysis, and Electrodialysis with the Electrochemistry Module

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From the Lab Researcher to the Industrial Electrochemical Engineer

The Electrochemistry Module expands the possibilities in designing, understanding, and optimising electrochemical systems through accurate simulation. This product offers significant benefit to researchers in the lab or to the industrial electrochemical engineer. Capabilities such as modelling electrochemical reaction mechanisms, mass transport, and current density distributions enable efficient simulation for applications including electrolysis, electrodialysis, electroanalysis, electrochemical sensors, and bioelectrochemistry.

Cyclic voltammetry is a common technique for electrochemical analysis in which the potential at the working electrode is swept over a voltage range while the current is recorded.

Interfaces for Primary, Secondary and Tertiary Current Distributions

The Electrochemistry Module covers a wide range of applications involving electrochemical reactions. This is accomplished through interfaces for primary, secondary, and tertiary current distributions; electroanalysis; flow in free and porous media; heat transfer; heterogeneous and homogeneous chemical reactions; and material transport in dilute and concentrated solutions. Possible applications include the study and design of chlor-alkali and chlorate electrolysis, water electrolysis for hydrogen and oxygen production, waste water treatment, desalination of seawater, fundamental electrochemical studies in electrocatalysis and electroanalysis, and sensors for glucose, pH, hydrogen, and other gases.

Electrochemistry Functionality in Other Products

Analysis of electrochemical systems is central to electrodeposition, corrosion, battery design, fuel cells, and electrolysers. Because of this, all of the functionality available in the Electrochemistry Module is also included in the following products: Electrodeposition Module, Corrosion Module, Battery Design Module, and Fuel Cell & Electrolyser Module.

Interfaces for Electrochemical Analysis

Dedicated features in the Electrochemistry Module enable the simulation of amperometry, potentiometry, electrochemical impedance, and coulometry studies, in addition to an interface provided specifically for cyclic voltammetry. Properties such as exchange current densities, charge transfer coefficients, specific active surface areas, diffusivities, and reaction mechanisms can be determined from combined experiment and simulation results. These can subsequently be used in industrial applications for accurate modelling and design optimisation.

Complete Support for Applications Involving Electrochemical Reactions

Interfaces embedded in the Electrochemistry Module enable the modelling of systems assuming primary, secondary, or tertiary current distributions. The primary current distribution utilises Ohm's Law together with a charge balance to model the flow of current in both the electrolyte and electrodes, while assuming that losses in electric potential due to the electrochemical reactions are negligible. The secondary current distribution includes these reaction-based losses and is modelled through interfaces for the Tafel and Butler-Volmer equations. These also support modifications and custom expressions. The interfaces include electric potential as part of the electrochemical reaction kinetics.

In many reacting systems, and in close proximity to the electrodes, the concentration of the electrolyte is not constant. In that case, the effects of diffusion and convection have to be considered in addition to migration. The Electrochemistry Module provides an interface for tertiary current distributions that utilises the Nernst-Planck equation to describe the transport of chemical species in the electrolyte. Utilising the unparalleled capabilities in COMSOL Multiphysics, this interface can be seamlessly coupled to other interfaces that describe fluid flow and heat transfer.

Product Features

  • Analyse primary and secondary current density distribution, assuming constant electrolyte conditions
  • Analyse the electrochemical behaviour of porous electrodes, with correction factors for effective conductivities
  • Model electrochemical reaction kinetics through the Tafel and Butler-Volmer equations
  • Simulate tertiary current density distribution, utilising the Nernst-Planck equation, assuming electroneutrality
  • Support for temperature-dependent ionic migration through the Nernst-Einstein relation
  • Support for Bruggeman conductivity corrections, utilising electrolyte volume fraction
  • Support for considering double layer capacitance in electrode kinetics in addition to limiting current densities
  • Easily include potential drops at electrode-electrolyte interfaces due to film resistance
  • Include harmonic perturbation for AC Impedance studies and reference potentials for other electroanalytical applications
  • Easily include supporting electrolyte conditions for electroanalysis
  • Specific interface for Cyclic Voltammetry
  • Species transport, heat transfer, and fluid flow in free and porous media
  • Support for surface catalytic reactions where species can be transported across surfaces
  • Nyquist and Bode plots from AC Impedance
  • Nernst-Planck-Poisson Equations
  • Electrophoretic Transport
Application Areas
  • Electroanalysis
  • Electrolysis
  • Electrodialysis
  • Electrochemical sensors
  • Bioelectrochemistry
  • Glucose sensors
  • Gas sensors
  • Chlor-alkali electrolysis
  • Hydrogen and oxygen production
  • Desalination of seawater
  • Ultra-pure water production
  • Electrolyte waste treatment
  • pH control of liquid foods
  • Control of electrochemical reactions in biomedical implants

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