Ionization, transport, separation, and detection of ions in non-electrolyte containing liquids.

Liquid phase ion mobility spectrometry (LPIMS) has the potential to be miniaturized such that it can be incorporated into chip based technology, providing higher performance in terms of both detection sensitivity and resolving power than is currently available by other separation technologies such as gas phase IMS, chromatography, or electrophoresis. This work presents modeling, simulation, and experimental investigations to characterize the mobility of ions in a liquid phase. This study included the ionization, transfer, separation, and detection of ions in non-electrolyte liquids.

Modular ion mobility spectrometer for explosives detection using corona ionization.

Ion mobility spectrometry (IMS) has become the most widely used technology for trace explosives detection. A key task in designing IMS systems is to balance the explosives detection performance with size, weight, cost, and safety of the instrument. Commercial instruments are, by and large, equipped with radioactive (63)Ni ionization sources which pose inherent problems for transportation, safety, and waste disposal regulation.

Predicting Raman spectra using density functional theory.

Accurately computing molecular Raman spectra would enable rapid development of inexpensive and extensive Raman libraries. This is especially beneficial for chemicals that are regulated, toxic, or otherwise difficult to handle. Numerous quantum mechanical methods have been developed that enable computation of Raman spectra.

Effect of space charge on resolving power and ion loss in ion mobility spectrometry.

The effect of space charge on the performance of an Ion Mobility Spectrometry (IMS) system becomes more important as the system is made smaller. We use the SIMION software package with the Statistical Diffusion Simulation (SDS) module and SIMION's new capability to solve the Poisson equation to study the effect of space charge on ion loss and resolving power in IMS systems. We consider IMS systems ranging in length from 50 mm to 150 mm and in diameter from 8.