Numerical modeling of capillary electrophoresis : electrospray mass spectrometry interface design

Jarvas, Gábor and Guttman, András and Foret, Frantisek (2014) Numerical modeling of capillary electrophoresis : electrospray mass spectrometry interface design. MASS SPECTROMETRY REVIEWS. pp. 1-12. ISSN 0277-7037, ESSN: 1098-2787

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Abstract

Capillary electrophoresis hyphenated with electrospray mass spectrometry (CE-ESI-MS) has emerged in the past decade as one of the most powerful bioanalytical techniques. As the sensitivity and efficiency of new CE-ESI-MS interface designs are continuously improving, numerical modeling can play important role during their development. In this review, different aspects of computer modeling and simulation of CE-ESI-MS interfaces are comprehensively discussed. Relevant essentials of hydrodynamics as well as state-of-the-art modeling techniques are critically evaluated. Sheath liquid-, sheathless-, and liquid-junction interfaces are reviewed from the viewpoint of multidisciplinary numerical modeling along with details of single and multiphase models together with electric field mediated flows, electrohydrodynamics, and free fluid-surface methods. Practical examples are given to help non-specialists to understand the basic principles and applications. Finally, alternative approaches like air amplifiers are also included.

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