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Structure of Dense Krypton Gas: Percus-Yevick and Monte Carlo Results

 

作者: J. Ram,   P.A. Egelstaff,  

 

期刊: Physics and Chemistry of Liquids  (Taylor Available online 1984)
卷期: Volume 14, issue 1  

页码: 29-45

 

ISSN:0031-9104

 

年代: 1984

 

DOI:10.1080/00319108408080793

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Monte Carlo calculations of the pair correlation functiong(r)and numerical solutions of the Percus-Yevick equation are reported for a Lennard-Jones potential, the krypton potential of Barkeret al.and a long range three-body (triple dipole and dipole-dipole-quadrupole) potential at 297 K and densities between 2 and 14 × 1027atoms/m3. We compare in real and Fourier space, and also calculate the pressure and compressibility. The latter two quantities are compared to experimental data on the 297 K isotherm, and while the PY results are in agreement the Barkeret al.potential results are significantly different for ρ > 3 × 1027atoms/m3.

 

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