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Related Experiment Video

Updated: Jun 25, 2026

Finite Element Modelling of a Cellular Electric Microenvironment

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

Field distribution in an electrospray ionization source determined by finite element method.

Xuefei Zhong¹, Rong Yi, Alison E Holliday

¹Department of Chemistry, University of British Columbia, Vancouver, BC, Canada V6T 1Z1.

Rapid Communications in Mass Spectrometry : RCM

|February 4, 2009

Summary

Computer models of electrospray ionization sources reveal how an ion lens focuses charged droplets. Optimal mass spectrometer signals are achieved by adjusting sprayer and lens voltages, demonstrating the lens

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Spatial Separation of Molecular Conformers and Clusters

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Area of Science:

Analytical Chemistry
Physical Chemistry
Computational Science

Background:

Electrospray ionization (ESI) is a crucial technique for interfacing liquid samples with mass spectrometry.
Understanding the electric field dynamics within ESI sources is key to optimizing ion generation and transmission.
Computational modeling offers a powerful approach to investigate complex electrostatic phenomena in ESI.

Purpose of the Study:

To construct and analyze three-dimensional computer models of electrospray ionization sources using COMSOL Multiphysics.
To investigate the influence of an atmospheric pressure ion lens on electric field distribution and ion trajectories.
To correlate computational findings with experimental results to understand ion signal optimization.

Main Methods:

Finite element methods were employed to solve static electric fields in detailed 3D models.
Calculations were performed for electric field strength at the onset of electrospray and for optimum signal.
Equipotential surfaces, electric field lines, and charged droplet trajectories were plotted to visualize ion optics.

Main Results:

The study identified the electric field strength required for electrospray onset and optimal signal under various conditions.
The focusing effect of the ion lens on charged droplet trajectories was clearly demonstrated through simulations.
Calculated electric field strengths at the sprayer tip for optimum signals were consistent despite varying applied voltages.

Conclusions:

Changes in mass spectrometer ion signal are directly attributable to the focusing capabilities of the ion lens.
Optimal ion signals are achieved by applying specific voltages to the sprayer (3000-5000 V) and ion lens.
The computational model accurately predicts experimental observations, validating its utility for ESI source design.