当前位置: X-MOL 学术J. Phys. Chem. Ref. Data › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Zero-Kelvin Compression Isotherms of the Elements 1 ≤Z≤ 92 to 100 GPa
Journal of Physical and Chemical Reference Data ( IF 4.4 ) Pub Date : 2016-12-01 , DOI: 10.1063/1.4963086
David A. Young 1 , Hyunchae Cynn 1 , Per Söderlind 1 , Alexander Landa 1
Affiliation  

Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). The tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.

中文翻译:

元素 1 ≤Z≤ 92 至 100 GPa 的零开尔文压缩等温线

大多数化学元素现在已经在金刚石砧室中被压缩到接近或高于 100 GPa (1 Mbar) 的压力,并且已经测量了压力 - 体积 - 室温等温线。我们收集这些数据并使用简单的晶格动力学模型将等温线降低到 0 K。我们通过对 Cr 和 Rh 进行新的金刚石砧细胞测量以及对元素 Po 进行密度泛函计算,扩展了已发表的工作、At、Rn、Fr、Ra 和 Ac。0 K 数据针对所有元素 1 ≤ Z ≤ 92 和 0 ≤ P ≤ 100 GPa 制成表格。这些数据可用于生成宽范围的状态方程模型和研究化合物在高压下的稳定性(“兆巴化学”)。此处提供的表格旨在作为用于高压研究的参考热力学表格。
更新日期:2016-12-01
down
wechat
bug