Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties

被引：7

作者：

Mao, Shide ^{[1
,2
]}

Duan, Zhenhao ^{[3
]}

Hu, Jiawen ^{[4
,5
]}

Zhang, Zhigang ^{[3
]}

Shi, Lanlan ^{[1
,2
]}

机构：

[1] China Univ Geosci, State Key Lab Geol Proc & Mineral Resources, Beijing 100083, Peoples R China

[2] China Univ Geosci, Sch Earth Sci & Resources, Beijing 100083, Peoples R China

[3] Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earths Deep Interior, Beijing 100029, Peoples R China

[4] Shijiazhuang Univ Econ, Coll Resources, Shijiazhuang 050031, Peoples R China

[5] Chinese Acad Sci, Inst Geochem, State Key Lab Ore Deposit Geochem, Guiyang 550002, Peoples R China

来源：

PHYSICS OF THE EARTH AND PLANETARY INTERIORS | 2011年 / 185卷 / 1-2期

基金：

中国国家自然科学基金;

关键词：

Water; Volume; Equation of state; Fluid inclusion; EQUATION-OF-STATE; THERMODYNAMIC PROPERTIES; HIGH-PRESSURES; FUNDAMENTAL EQUATION; EXTREME PRESSURES; H2O-CO2; MIXTURES; PVT PROPERTIES; MELTING LINE; WATER; H2O;

D O I：

10.1016/j.pepi.2011.01.003

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

The IAPWS-95 formulation explicit in Helmholtz free energy proposed by Wagner and Pruss (The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use, Journal of Physical and Chemical Reference Data 2002 31(2), 387-535) is extended to calculate the volumetric property of the fluid water from 1 GPa and 273 K to 20 GPa and 4273 K. Comparison with large experimental and molecular dynamic simulation data above 1 GPa shows that the equation of state can reproduce the volume of the fluid water with an average absolute deviation of 0.52%. Thus the original IAPWS-95 formulation together with the extended part can be used in a much larger temperature-pressure region: 273-4273K and 0-20 GPa. In addition, this paper also reports a reliable and highly efficient method to calculate the saturated properties of water so that the equation of state can be conveniently applied in the study of fluid inclusion: calculating homogenization pressures, homogenization densities (or molar volumes) and isochores. Computer code of the model can be obtained from the first author. (C) 2011 Elsevier BM. All rights reserved.

引用

页码：53 / 60

页数：8

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