title: Numerical modeling of capillary electrophoresis - electrospray mass spectrometry interface design.
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. © 2014 Wiley Periodicals, Inc. Mass Spec Rev 34: 558-569, 2015.
authors.affiliation: CEITEC-Central European Institute of Technology, Brno, Czech Republic.|MTA-PE Translational Glycomics Research Group, MUKKI, University of Pannonia, Veszprem, Hungary.
authors.forename: Gabor
authors.initials: G
authors.lastname: Jarvas
authors.affiliation: MTA-PE Translational Glycomics Research Group, MUKKI, University of Pannonia, Veszprem, Hungary.
authors.forename: Andras
authors.initials: A
authors.lastname: Guttman
authors.affiliation: CEITEC-Central European Institute of Technology, Brno, Czech Republic.|Institute of Analytical Chemistry of the Academy of Sciences of the Czech Republic, Brno, Czech Republic.
authors.forename: Frantisek
authors.initials: F
authors.lastname: Foret
mesh_terms: D000465:Algorithms; D000818:Animals; D003198:Computer Simulation; D004574:Electromagnetic Fields; D019075:Electrophoresis, Capillary / Q000295:instrumentation / Q000379:methods*; D006801:Humans; D057446:Hydrodynamics; D008956:Models, Chemical; D021241:Spectrometry, Mass, Electrospray Ionization / Q000295:instrumentation / Q000379:methods*
keywords: CE-ESI-MS; CFD; interface design; modeling; simulation