A high temperature equation of state for the H2O-CaC1(2) and H2O-MgC1(2) systems
文献类型：期刊论文
| 作者 | Duan, Zhenhao; Moller, Nancy; Weare, John H. |
| 刊名 | GEOCHIMICA ET COSMOCHIMICA ACTA
 |
| 出版日期 | 2006-08-01 |
| 卷号 | 70期号:15页码:3765-3777 |
| ISSN号 | 0016-7037 |
| DOI | 10.1016/j.gca.2006.05.007 |
| 文献子类 | Article |
| 英文摘要 | An equation of state (EOS) is developed for salt-water systems in the high temperature range. As an example of the applications, this EOS is parameterized for the calculation of density, immiscibility, and the compositions of coexisting phases in the CaCl2-H2O and MgCl2H2O systems from 523 to 973 K and from saturation pressure to 1500 bar. All available volumetric and phase equilibrium measurements of these binaries are well represented by this equation. This EOS is based on a Helmholtz free energy representation constructed from a reference system containing hard-sphere and polar contributions plus an empirical correction. For the temperature and pressure range in this study, the electrolyte solutes are assumed to be associated. The water molecules are modeled as hard spheres with point dipoles and the solute molecules, MgCl2 and CaCl2, as hard spheres with point quadrupoles. The free energy of the reference system is calculated from an analytical representation of the Helmholtz free energy of the hard-sphere contributions and perturbative estimates of the electrostatic contributions. The empirical correction used to account for deviations of the reference system predictions from measured data is based on a virial expansion. The formalism allows generalization to aqueous systems containing insoluble gases (CO2, CH4), alkali chlorides (NaCl, KCl), and alkaline earth chlorides (CaCl2, MgCl2). The program of this model is available as an electronic annex (see EA1 and EA2) and can also be downloaded at: http://www.geochem-model.org/programs.htm. (c) 2006 Elsevier Inc. All rights reserved. |
| WOS关键词 | THERMODYNAMIC PERTURBATION-THEORY ; DIPOLAR HARD-SPHERES ; SYNTHETIC FLUID INCLUSIONS ; VAPOR LIQUID EQUILIBRIUM ; ANDALUSITE PLUS QUARTZ ; SIMPLE POLAR FLUIDS ; VOLUMETRIC PROPERTIES ; PHASE-EQUILIBRIA ; MAGNESIUM-CHLORIDE ; AQUEOUS-SOLUTIONS |
| WOS研究方向 | Geochemistry & Geophysics |
| 语种 | 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| WOS记录号 | WOS:000239765800001 |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/67082]  |
| 专题 | 中国科学院地质与地球物理研究所 |
| 通讯作者 | Duan, Zhenhao |
| 作者单位 | 1.Chinese Acad Sci, Inst Geol & Geophys, State Key Lab Lithospher Evolut, Beijing 100029, Peoples R China 2.Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA |
| 推荐引用方式 GB/T 7714 | Duan, Zhenhao,Moller, Nancy,Weare, John H.. A high temperature equation of state for the H2O-CaC1(2) and H2O-MgC1(2) systems[J]. GEOCHIMICA ET COSMOCHIMICA ACTA,2006,70(15):3765-3777. |
| APA | Duan, Zhenhao,Moller, Nancy,&Weare, John H..(2006).A high temperature equation of state for the H2O-CaC1(2) and H2O-MgC1(2) systems.GEOCHIMICA ET COSMOCHIMICA ACTA,70(15),3765-3777. |
| MLA | Duan, Zhenhao,et al."A high temperature equation of state for the H2O-CaC1(2) and H2O-MgC1(2) systems".GEOCHIMICA ET COSMOCHIMICA ACTA 70.15(2006):3765-3777. |
入库方式： OAI收割
来源：地质与地球物理研究所
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