Reaction Simulation extension for SIMION

I have started an extension to the charged particle simulator software SIMION which is able to describe the chemical reaction dynamics of charged particles (mostly molecular ions) in the gas phase. In combination with the Statistical Diffusion Simulation approach introduced by Dahl et al in 2005, the Reaction Simulation (RS) extension is able to describe the chemical dynamics of reactive ions at elevated or even atmospheric bulk gas pressure. 

With RS we was able to accurately simulate the dynamics of proton bound water clusters in a atmospheric pressure ion mobility spectrometer (IMS) drift tube which determines the drift time of the water-cluster Reactant Ion Peak (RIP) in AP-IMS. Details of those simulations was published in JASMS (2013) and on a poster at the ASMS annual meeting in Vancouver in 2012.
 
The RS source code, which is a SIMION user program written in Lua, is freely available under GPL license. 
 
More information about the development of RS and documentation is available on the RS project website and the RS project github site