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Simul 6: A fast dynamic simulator of electromigration.

Bohuslav Gaš1, Petr Bravenec2

  • 1Faculty of Science, Department of Physical and Macromolecular Chemistry, Charles University in Prague, Prague, Czech Republic.

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|April 3, 2021
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Summary

Simul 6 is a free 1D dynamic simulator for electromigration and diffusion in electrolyte solutions. This advanced software aids in optimizing separation conditions for various electrophoresis techniques.

Keywords:
Continuity equationDynamic simulatorElectromigrationElectrophoresisNumerical solution

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Area of Science:

  • Analytical Chemistry
  • Physical Chemistry

Background:

  • Electromigration is a fundamental process in electrolyte solutions.
  • Accurate simulation of electromigration dynamics is crucial for developing advanced separation techniques.
  • Existing models may not fully capture the complexity of multivalent electrolytes and ampholytes.

Purpose of the Study:

  • To introduce Simul 6, a novel 1D dynamic simulator for electromigration.
  • To provide a comprehensive tool for understanding electromigration and diffusion in separation channels.
  • To offer a free, user-friendly software for method development in electrophoresis.

Main Methods:

  • Numerical solution of continuity equations for electrolyte movement.
  • Incorporation of acid-base equilibria and electroneutrality conditions.
  • Development of a 1D dynamic simulation model accounting for multivalent electrolytes and ampholytes.

Main Results:

  • Simul 6 accurately models electromigration and diffusion dynamics in separation channels.
  • The software handles complex systems with multiple electrolytes and ampholytes.
  • It provides a complete picture of zone formation and analyte behavior.

Conclusions:

  • Simul 6 is a powerful and versatile tool for electrophoresis research and development.
  • Its ability to simulate complex systems aids in optimizing separation conditions.
  • The free availability of Simul 6 promotes wider adoption and advancement in the field.