An atomistic fourth-order virial equation of state for Argon from first principles calculations

作者：Wiebke J^*; Schwerdtfeger P; Moyano G E; Pahl E

来源：Chemical Physics Letters, 2011, 514(1-3): 164-167.

DOI：10.1016/j.cplett.2011.08.024

The virial equation of state up to fourth order for Argon is constructed using highly accurate ab initio two-and three-body potentials. Experimental EOS data is reproduced within at least +/- 1.7% in terms of pressure near the critical point and significantly better for larger volumes (less than +/- 0.5% or +/- 0.025 MPa for 200 cm(3) mol(-1) or larger). The

• 出版日期2011-9-27