High-resolution dynamic computer simulation of electrophoresis using a multiphysics software platform.

Mikkonen, Saara Lin Katriine; Ekström, Henrik; Thormann, Wolfgang (2018). High-resolution dynamic computer simulation of electrophoresis using a multiphysics software platform. Journal of chromatography A, 1532, pp. 216-222. Elsevier Science 10.1016/j.chroma.2017.11.060

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The modeling and simulation software COMSOL Multiphysics® was recently extended with an electrophoretic transport interface. Its performance was investigated by comparison to results obtained using the 1D dynamic electrophoresis simulators GENTRANS and SIMUL5. Simulations of zone electrophoresis, isotachophoresis, isoelectric focusing and of an oscillating electrolyte system were performed. Smooth profiles were essentially identical indicating that the COMSOL electrophoretic transport interface is able to reproduce results of the 1D simulators. Differences in the way the respective numerical schemes handle steep concentration gradients and associated instabilities were observed. The COMSOL electrophoretic transport interface is expected to be useful as a general model for simulations in 1D, 2D or 3D geometries, as well as for simulations combining electrophoresis with other physical phenomena.

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