Accuracy Analysis for Kinetic Modeling of Homogeneous Condensation in Plumes
AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE
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A model of homogeneneous nucleation based on first principles of the kinetic theory of gases, and developed for the direct simulation Monte Carlo method, is presented. Key parameters of the model, such as the binding energy and the heat capacity as function of cluster size, are given for argon and water. For water, two datasets are used, one based on quantum calculations of heat capacity and binding energy available in the literature, and the other based on the present molecular dynamics computations. The model is analyzed using the thermal bath relaxation problem, and applied to compute the water dimer terminal mole fractions in circular orifice expansion.
- Physical Chemistry
- Combustion and Ignition