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The Electrochemistry Module in CFD-ACE+ can be used to simulate
a variety of problems in bioanalytical systems where one needs to solve
for an ionization equilibrium involving acids, bases and ampholytes. A
typical system consists of a buffer (acid-base pair) and samples (analytes),
subjected to an electric field. The electrochemical processes modeled
are:
- Association and dissociation of the acid-base pair and ampholytes
- Autoionization of water
- Electric field distribution under electroneutrality condition
This module can be used to solve problems such as
- Capillary electrophoresis (CE)
- Capillary Electrophoresis/Isotachophoresis (CE-ITP)
- Isoelectric focusing of proteins
- Generation of pH gradient by stacking ampholytes
- Moving boundary electrophoresis
The CFD-ACE+ Electrochemistry Module has been validated and
is coupled with other CFD-ACE+ modules to provide multiphysics
solutions for complex problems. The sample problem on the right demonstrates
the generation of a pH gradient in a microchannel by stacking ampholytes
and applying an electric field.
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Schematic of a Microchannel System to Establish pH Gradient. Ampholytes
(AMPH1 to AMPH5) Are Stacked Initially and An Electric Field is Applied
pH Profile Inside the Microchannel: Application of Electric Field Causes
Ampholytes to Migrate to their pI, thus Producing pH Gradient
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