Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5409943 | Journal of Molecular Liquids | 2016 | 24 Pages |
Abstract
An analytical equation of state is presented for ammonia to describe its thermodynamic properties over wide ranges of temperatures and pressures up to 3000Â K and 20Â GPa, respectively. The equation of state contains well-defined parameters, two of which have been slightly adjusted around their global values based on a limited set of experimental data. The properties of ammonia predicted by the new equation of state are in very good agreement with the experimental data and the first-principles molecular dynamics simulation results over a broad range of temperatures and pressures. The new equation of state is expected to supplement molecular simulations at conditions where experimental data are not yet available.
Related Topics
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Authors
Soran Jahangiri, Hassan Behnejad,