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

doi:10.1016/j.pepi.2011.01.003

	Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties
	Mao, Shide 1,2; Duan, Zhenhao 3; Hu, Jiawen 4,5; Zhang, Zhigang 3; Shi, Lanlan 1,2
刊名	PHYSICS OF THE EARTH AND PLANETARY INTERIORS
	2011-03-01
卷号	185 期号:1-2 页码:53-60
关键词	Water Volume Equation of state Fluid inclusion
ISSN号	0031-9201
DOI	10.1016/j.pepi.2011.01.003
文献子类	Article
英文摘要	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.
WOS关键词	EQUATION-OF-STATE ; THERMODYNAMIC PROPERTIES ; HIGH-PRESSURES ; FUNDAMENTAL EQUATION ; EXTREME PRESSURES ; H2O-CO2 MIXTURES ; PVT PROPERTIES ; MELTING LINE ; WATER ; H2O
WOS研究方向	Geochemistry & Geophysics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000289026600007
资助机构	National Natural Science Foundation of China(90914010) ; National Natural Science Foundation of China(90914010) ; Natural Science Foundation of Hebei Province(D2008000535) ; Natural Science Foundation of Hebei Province(D2008000535) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; National Natural Science Foundation of China(90914010) ; National Natural Science Foundation of China(90914010) ; Natural Science Foundation of Hebei Province(D2008000535) ; Natural Science Foundation of Hebei Province(D2008000535) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; National Natural Science Foundation of China(90914010) ; National Natural Science Foundation of China(90914010) ; Natural Science Foundation of Hebei Province(D2008000535) ; Natural Science Foundation of Hebei Province(D2008000535) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; National Natural Science Foundation of China(90914010) ; National Natural Science Foundation of China(90914010) ; Natural Science Foundation of Hebei Province(D2008000535) ; Natural Science Foundation of Hebei Province(D2008000535) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Open Foundation of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(PLC201001) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016) ; Zhigang Zhang's National Natural Science Funds for Young Scholar(40703016)
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/74471]
专题	中国科学院地质与地球物理研究所
通讯作者	Mao, Shide
作者单位	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
推荐引用方式 GB/T 7714	Mao, Shide,Duan, Zhenhao,Hu, Jiawen,et al. Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties[J]. PHYSICS OF THE EARTH AND PLANETARY INTERIORS,2011,185(1-2):53-60.
APA	Mao, Shide,Duan, Zhenhao,Hu, Jiawen,Zhang, Zhigang,&Shi, Lanlan.(2011).Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties.PHYSICS OF THE EARTH AND PLANETARY INTERIORS,185(1-2),53-60.
MLA	Mao, Shide,et al."Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties".PHYSICS OF THE EARTH AND PLANETARY INTERIORS 185.1-2(2011):53-60.