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Thermodynamic Properties And Equation Of State Of Dense Fluid Nitrogen, J. Belak, R. D. Etters, Richard Alan Lesar

Richard Alan Lesar

Results of constant‐pressure Monte Carlo calculations on dense fluid nitrogen over a pressure range of 2 to 300 kbar and a temperature range of 300–3000 K are presented. From analytic fits to the calculated volumes, enthalpies and vibrational frequency shifts, a comprehensive set of thermodynamic quantities is derived, including: thermal expansivity, compressibility, specific heat, Grüneisen parameter, and speed of sound. Comparison of the theoretical results to experiment at room temperature shows very good agreement (within 0.3% in volume and 1% in speed of sound, for instance). Good agreement is also obtained with earlier simulation data. In agreement with experimental studies …