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Numerical Model for Molecular and Particulate Contamination Transport

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A new model for simulating molecular and particulate contamination transport is described. This model is implemented in the Contamination Transport Simulation Program (CTSP). The code uses techniques found in rarefied gas and plasma dynamics codes and represents the contaminants as simulation macroparticles. This kinetic approach allows the code to consider external forces and interparticle interactions. Macroscopic properties such as contaminant plume partial pressure can also be computed. CTSP implements various contamination-specific material sources including a detailed model for molecular outgassing and a model for particulate detachment. The code is demonstrated with four examples focusing on mass transport between two parallel plates, computation of the steady-state equilibrium in a closed vessel, characterization of a test article outgassing rate from a quartz crystal microbalance measurement, and the use of purge gas to reduce the particulate fallout in atmospheric conditions. Simulation results are compared to analytical models.


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