| DOI: | 10.2172/1194030
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| 报告号: | LLNL--TR-672077
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| 报告题名: | The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine |
| 作者: | Myint, P. C.; Hao, Y.; Firoozabadi, A.
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| 出版年: | 2015
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| 发表日期: | 2015-03-27
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| 总页数: | 43
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| 国家: | 美国
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| 语种: | 英语
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| 中文主题词: | 碳
; 二氧化碳
; 密度
; 钠
|
| 主题词: | CARBON
; CARBON DIOXIDE
; DENSITY
; SODIUM
|
| 英文摘要: | Thermodynamic property calculations of mixtures containing carbon dioxide (CO2) and water, including brines, are essential in theoretical models of many natural and industrial processes. The properties of greatest practical interest are density, solubility, and enthalpy. Many models for density and solubility calculations have been presented in the literature, but there exists only one study, by Spycher and Pruess, that has compared theoretical molar enthalpy predictions with experimental data [1]. In this report, we recommend two different models for enthalpy calculations: the CPA equation of state by Li and Firoozabadi [2], and the CO2 activity coefficient model by Duan and Sun [3]. We show that the CPA equation of state, which has been demonstrated to provide good agreement with density and solubility data, also accurately calculates molar enthalpies of pure CO2, pure water, and both CO2-rich and aqueous (H2O-rich) mixtures of the two species. It is applicable to a wider range of conditions than the Spycher and Pruess model. In aqueous sodium chloride (NaCl) mixtures, we show that Duan and Sunâs model yields accurate results for the partial molar enthalpy of CO2. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H2O-CO2-NaCl mixtures. We conclude by explaining how the CPA equation of state may be modified to further improve agreement with experiments. This generalized CPA is the basis of our future work on this topic. |
| URL: | http://www.osti.gov/scitech/servlets/purl/1194030
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| Citation statistics: |
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| 资源类型: | 研究报告
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/41913
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| Appears in Collections: | 过去全球变化的重建
影响、适应和脆弱性
科学计划与规划
气候变化与战略
全球变化的国际研究计划
气候减缓与适应
气候变化事实与影响
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| 1194030.pdf（1013KB） | 研究报告 | -- | 开放获取 | | View
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| Recommended Citation: | |
Myint, P. C.,Hao, Y.,Firoozabadi, A.. The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine. 2015-01-01.
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