Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performanceElectronic supplementary information (ESI) available: A series of figures showing the mesh applied for different ESI emitter models and the corresponding boundary conditions is provided. A schematic of the experimental electrospray setup is included. For a single-channel emitter, a figure showing the quantitative assessment of the steady state is provided along with snapshots illust

• Main Authors: Wu, Xinyun, Oleschuk, Richard D, Cann, Natalie M
• Format: Journal Article
• Language: English
• Published: 13.08.2012
• ISSN: 0003-2654; 1364-5528
• DOI: 10.1039/c2an35249d

Full-dimensional computational fluid dynamics (CFD) simulations are presented for nano electrospray ionization (ESI) with various emitter designs. Our CFD electrohydrodynamic simulations are based on the Taylor-Melcher leaky-dielectric model, and the volume of fluid technique for tracking the fast-changing liquid-gas interface. The numerical method is first validated for a conventional 20 m inner diameter capillary emitter. The impact of ESI voltage, flow rate, emitter tapering, surface hydrophobicity, and fluid conductivity on the nano-ESI behavior are thoroughly investigated and compared with experiments. Multi-electrospray is further simulated with 2-hole and 3-hole emitters with the latter having a linear or triangular hole arrangement. The simulations predict multi-electrospray behavior in good agreement with laboratory observations. NanoESI simulations and experiments for 1-3 hole channel emitters; towards an integrated approach to emitter design and characterization.