Sample introduction in inductively coupled plasmas: A better insight through computer modeling.

Inductively coupled plasma mass spectrometry (ICP-MS) is a method to chemically analyze several kinds of (environmental, biological and inorganic) samples. This is achieved by ionizing the sample with an inductively coupled plasma and using a mass spectrometer to separate and quantify the ions. Because of its high sensitivity and ability to measure about 80% of the periodic table, the ICP has become one of the most popular ion sources in analytical chemistry. To improve the analytical performance, fundamental studies are indispensable. They have been carried out for several years both experimentally and computationally. However, there is a strong need for a complete model which can provide details on the sample behavior inside the plasma. This kind of detailed information is barely accessible from experiments, and computational modeling will therefore be very helpful.Thus, in this project, for the first time worldwide, I will develop a comprehensive model for ICPMS, including the behavior of the sample, and I will validate my model with experiments, in collaboration with other groups. First, I will develop a model for elemental droplets and subsequently, I will extend the model to describe samples dissolved in water (i.e., multicomponentdroplets) including chemical reactions. Finally, I will apply the model to different geometries, like a dual concentric injector, to propose geometrical optimizations as well as predict the optimal operating conditions for ICP-MS.

Keywords:PLASMA CHEMISTRY, COMPUTER MODELING

Disciplines:Applied mathematics in specific fields, Classical physics, Physics of gases, plasmas and electric discharges, Analytical chemistry, Pharmaceutical analysis and quality assurance

Project type:Collaboration project