Theoretical and Computational Electrochemistry

Computational Electrochemistry is the advancement of mathematical models for the chemical and physical processes in batteries and fuel cells with the mechanism to investigate them with the help of computer simulations and mathematical study. Faradays law is a law stating that the extent of any substance deposited or liberated during electrolysis is proportional to the quantity of electric charge passed and to the comparable density of the substance. A thermodynamic portion equal to the enthalpy (of a structure or process) minus the product of the entropy and the outright temperature is called as Gibbs free energy. In electrochemistry, the Nernst equation is an equation that discloses the reduction potential of a half-cell (or the full voltage, i.e. the electromotive force, of the full cell) at any fleck in time to the standard electrode potential, temperature, action, and reaction quotient of the underlying reactions. Electrical conductivity is the amplification of a material's ability to allow the transport of an electric charge. Electrochemical synthesis in chemistry is the organization of chemical compounds in an electrochemical cell. The main advantage of electro synthesis over an ordinary redox reaction is evasion of the potential wasteful other half-reaction and the ability to precisely tune the required potential. 

  • Nernst Equation
  • Redox Reaction
  • Electromotive Force
  • Gibbs free energy
  • Electrochemical synthesis
  • Electrode reaction mechanisms
  • Processes on Electrodes
  • Electrical conductivity
  • Faradays law

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