A parallelized tool to calculate the electrical mobility of charged aerosol nanoparticles and ions in the gas phase

Abstract Electrical Mobility is a transport property that describes a particle behavior in the gas phase. When dealing with the free molecular regime, ascertaining the shape of a nanoparticle or an ion directly from measurements of mobility becomes quite difficult as the particle no longer can be assumed to have spherical shape. Here we propose an efficient parallelized tool, IMoS, that makes use of all-atom models to calculate the mobility of nanoparticles in a variety of gases. The program allows for different types of calculations that range from the efficient Projection Approximation (PA) algorithm to the 4-6-12 Lennard-Jones potential Trajectory Method. It also includes a diffuse inelastic simulation that achieves Millikan's predicted 1.36 value over PA. When compared to experimental results, the error of the most efficient calculations is shown to be approximately 2–4% on average.

• Publication year

  2020

• Venue

  Journal of Aerosol Science

• Publication date

  2020-09-01

• Fields of study

  Materials Science, Physics, Environmental Science

• Identifiers
  DOI 10.1016/j.jaerosci.2020.105570
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

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