Equation of State, Structure, and Transport Properties of Iron Hydride Melts at Planetary Interior Conditions dataset

Datasets from https://doi.org/10.1029/2024JE008525 "Equation of State, Structure, and Transport Properties of Iron Hydride Melts at Planetary Interior Conditions" Emma R. Stoutenburg1, Razvan Caracas2, Natalia V. Solomatova3, and Andrew J. Campbell1 1Department of the Geophysical Sciences, University of Chicago, Chicago, IL, USA, 2 Université Paris Cité, Institut de Physique du Globe de Paris, CNRS, 1 rue Jussieu, Paris, France, 3CNRS, Ecole Normale Supérieure de Lyon, Laboratoire de Géologie de Lyon LGLTPE UMR5276, Centre Blaise Pascal, Lyon, France --- Please make sure you download data from the 10 May, 2024 version. --- ds01.xlsx Contains pressure, density, volume, and temperature of the main dataset discussed in the paper (10 and 100 GPa). Also included are the diffusivities of iron and hydrogen in units of m2/s, viscosity in units of Pa⋅s, average Fe-Fe and Fe-H coordination numbers and bond lengths, as well as (as of May 2024 update) the molecular hydrogen abundance and the average number of Fe in H1, H2, and H3 clusters. Nominal pressures, Pnom are provided as these data were generalized within the text; their actual pressure, Pavg, are provided as well. (v1 vs v2: viscosity columns ([visc_Pas, visc_std] were updated, as a typo was discovered in the calculation of viscosity and it was a factor of 1/3 too small; May 2024: added molecular hydrogen data). ds02.xlsx Contains all the data used in fitting the equation of state (v1-2 vs May 2024: P<10 GPa added to equation of state fit). The first sheet includes the molar volume, temperature, pressure (P), the magnetism corrected pressure (P_magcor115), and the residuals from the equation of state fits (both Birch Murnaghan and Vinet). The second sheet includes the comparison of spin polarized and non-spin polarized pressure in the iron hydrides at ~1 GPa. The third sheet includes the comparison of spin polarized and non-spin polarized pressure in pure iron.数据集来源：https://doi.org/10.1029/2024JE008525 《行星内部环境下氢化铁熔体的状态方程（Equation of State）、结构与输运性质》 作者：Emma R. Stoutenburg¹、Razvan Caracas²、Natalia V. Solomatova³、Andrew J. Campbell¹ 单位： ¹ 美国伊利诺伊州芝加哥大学地球物理科学系； ² 法国巴黎西岱大学巴黎地球物理研究所、法国国家科学研究中心（CNRS），朱西厄路1号，巴黎； ³ 法国里昂高等师范学院、法国国家科学研究中心里昂地质实验室（LGLTPE UMR5276）、布莱斯·帕斯卡中心，里昂 --- 请务必下载2024年5月10日发布版本的数据。 --- ds01.xlsx 包含论文中讨论的核心数据集（压力覆盖10与100吉帕（GPa））的压力、密度、体积与温度数据。此外还收录了铁和氢的扩散系数（单位：m²/s）、粘度（单位：Pa·s）、Fe-Fe与Fe-H的平均配位数及键长；同时（2024年5月更新内容）包含分子氢丰度，以及H1、H2、H3团簇中的平均铁原子数。本数据集提供了标称压力P_nom（因文本中对数据进行了泛化处理）与实际平均压力P_avg。（版本v1与v2对比：修正了粘度计算中的笔误，原计算结果较真实值偏小至1/3，故更新了visc_Pas、visc_std两列粘度数据；2024年5月更新：新增分子氢相关数据） ds02.xlsx 包含用于拟合状态方程（Equation of State）的全部数据（v1至v2版本与2024年5月更新对比：向状态方程拟合中补充了P<10 GPa的数据）。第一个工作表包含摩尔体积、温度、压力P、经磁性校正的压力P_magcor115，以及状态方程拟合残差（包含布里奇曼-默纳汉（Birch-Murnaghan）与维内特（Vinet）两种形式）。第二个工作表包含约1 GPa压力下氢化铁中自旋极化与非自旋极化压力的对比数据。第三个工作表包含纯铁中自旋极化与非自旋极化压力的对比数据。