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Activity Coefficient Models for Calculations of Supercritical CO_2 and H_2O at High Temperatures and Pressures

机译:高温高压下超临界CO_2和H_2O计算的活度系数模型

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There are numerous models available to compute phase equilibrium compositions of supercritical CO_2 and H_2O at high temperatures and pressures. In this monograph, a different approach is developed where, activity coefficient models (ACM) are used, following fully LLE (liquid-liquid equilibrium) flash type computational methods, in order to obtain phase compositions (solubility of CO_2 in the H_2O-rich phase and that of H_2O in the CO_2-rich phase). Four ACM models (two two-parameter UNIQUAC and LSG, and two three-parameter NRTL and GEM-RS) are investigated. Since the original forms of these models are inadequate to represent the literature values, the binary interaction parameters have been related with both pressure and temperature. These modified versions are able to regenerate the phase composition values within 2-7% deviations. Further investigations also show that LLE calculations are more time-efficient than VLE computations, meaning our approach can save computational expenses for the numerical simulations of CO_2 flow in reservoirs. Comparisons of time efficiency of these ACM models with respect to Redlich-Kwong and Span-Wagner equations of state are shown.
机译:在高温和压力下,有许多模型可计算超临界CO_2和H_2O的相平衡组成。在本专题中,开发了一种不同的方法,在全部lecle(液体液体平衡)闪光型计算方法之后使用不同的方法,以获得相位组合物(CO_2在H_2O的相位中的溶解度以及CO_2丰富的阶段的H_2O)。调查了四种ACM模型(两个双参数uniquac和LSG,以及两个三参数NRTL和GEM-RS)。由于这些模型的原始形式不足以表示文献值,因此二进制交互参数与压力和温度有关。这些修改版本能够在2-7%的偏差范围内再生相位成分值。进一步的调查还表明,LLE计算比VLE计算更效率,这意味着我们的方法可以节省储层中CO_2流量的数值模拟的计算费用。显示了这些ACM模型的时间效率的比较,以及状态的redlich-kwong和span-wagner方程。

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