TY - GEN
T1 - Analysis of kinetic approach to homogeneous condensation in water expansions
AU - Borner, Arnaud
AU - Li, Zheng
AU - Levin, Deborah
AU - Jansen, Ryan
AU - Wysong, Ingrid
AU - Gimelshein, Sergey
AU - Zeifman, Michael
PY - 2010
Y1 - 2010
N2 - A model of homogeneous 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 functions of cluster size, are given for water and argon. 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.
AB - A model of homogeneous 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 functions of cluster size, are given for water and argon. 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.
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M3 - Conference contribution
AN - SCOPUS:78649888590
SN - 9781600867392
T3 - 48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition
BT - 48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition
T2 - 48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition
Y2 - 4 January 2010 through 7 January 2010
ER -