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Please use this identifier to cite or link to this item: http://hdl.handle.net/1807/29559

Title: Accurate and Efficient Evaluation of the Second Virial Coefficient Using Practical Intermolecular Potentials for Gases
Authors: Hryniewicki, Maciej Konrad
Advisor: Gottlieb, James J.
Department: Aerospace Science and Engineering
Keywords: Second Virial Coefficient
Intermolecular Potential Energy Models
Polynomial Interpolation
Quantum Correction
Issue Date: 24-Aug-2011
Abstract: The virial equation of state p = ρRT[ 1 + B(T) ρ + C(T) ρ2 + · · ·] for high pressure and density gases is used for computing chemical equilibrium properties and mixture compositions of strong shock and detonation waves. The second and third temperature-dependent virial coefficients B(T) and C(T) are included in tabular form in computer codes, and they are evaluated by polynomial interpolation. A very accurate numerical integration method is presented for computing B(T) and its derivatives for tables, and a sophisticated method is introduced for interpolating B(T) more accurately and efficiently than previously possible. Tabulated B(T) values are non-uniformly distributed using an adaptive grid, to minimize the size and storage of the tables and to control the maximum relative error of interpolated values. The methods introduced for evaluating B(T) apply equally well to the intermolecular potentials of Lennard-Jones in 1924, Buckingham and Corner in 1947, and Rice and Hirschfelder in 1954.
URI: http://hdl.handle.net/1807/29559
Appears in Collections:Master

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