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Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient
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摘要 为了在可能的 CO2 的地质的形成和 quantification 调查长期的 CO2 行为,漏,调查在地质的媒介在大量空间、时间的规模和密度分布上在盐水溶解的 CO2 的潜在的活动性是关键的。在这个工作,在盐水的水的 CO2 的集体转移基于状态的统计联系液体理论方程在被用来在盐水计算 CO2 的易逃逸系数的非平衡热力学借助于一个化学潜在的坡度模型被调查了。调查证明水的 CO2 和相应密度的界面的集中两个都与增加压力和减少的温度增加;有效散开系数开始减少然后与增加压力增加;并且 CO2-disolved 盐水的密度在 CO2 溶解过程与减少的 CO2 压力增加。化学潜在的坡度模型获得的水的 CO2 集中侧面与集中坡度模型获得的那些更加不同,它显示出考虑非想象力的重要性,特别当压力高时。 To investigate long-term CO2 behavior in geological formations and quantification of possible CO2 leaks, it is crucial to inves- tigate the potential mobility of CO2 dissolved in brines over a wide range of spatial and temporal scales and density distribu- tions in geological media. In this work, the mass transfer of aqueous CO2 in brines has been investigated by means of a chemi- cal potential gradient model based on non-equilibrium thermodynamics in which the statistical associating fluid theory equa- tion of state was used to calculate the fugacity coefficient of CO2 in brine. The investigation shows that the interracial concen- tration of aqueous CO2 and the corresponding density both increase with increasing pressure and decreasing temperature; the effective diffusion coefficients decrease initially and then increase with increasing pressure; and the density of the CO2-disolved brines increases with decreasing CO2 pressure in the CO2 dissolution process. The aqueous CO2 concentration profiles obtained by the chemical potential gradient model are considerably different from those obtained by the concentration gradient model, which shows the importance of considering non-ideality, especially when the pressure is high.
作者 JI YuanHui JI XiaoYan LU XiaoHua TU YongMing YuanHui Ji (1) ; XiaoYan Ji (1) ; XiaoHua Lu (2) ; YongMing Tu (3) (4) ;
出处 《中国科学:化学英文版》 SCIE EI CAS 2013年第6期821-830,共10页 SCIENCE CHINA Chemistry
基金 Lule University of Technology for the financial support the financial support from the Swedish Research Council the National Basic Research Program of China (2009CB226103,2009CB623400) the National Natural Science Foundation of China(50808039) the Natural Science Foundation of Jiangsu Province,China (BK2009138)
关键词 化学 C-C 原理 方法 实验 C02 geological sequestration, dissolution, non-equilibrium thermodynamics, mass transport, diffusion, density, SAFTEoS
作者简介 Corresponding author (email: xhlu@njut.edu.cn)
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