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Determination of clathrate hydrates dissociation conditions in aqueous solutions of methanol and salt using the e-NRTL based model
Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2021-06-29 , DOI: 10.1016/j.fluid.2021.113121
Foroozan Keshavarzi , Jafar Javanmardi , Khashayar Nasrifar , Amir H. Mohammadi

Saline water and organic inhibitors have considerable effects on preventing the formation of clathrate hydrates in gas and oil industries. The purpose of this study was to demonstrate a model that is capable of estimating the effects of NaCl, KCl, CaCl2 and methanol aqueous solutions on the equilibrium dissociation conditions of pure and gas mixture hydrates in wide ranges of pressure and temperature. The e-NRTL activity coefficient model is employed to describe the non-ideally of the liquid/aqueous phase. The solid solution theory of van der Waals and Platteeuw is applied to characterize the hydrate phase. The gas phase is described by the Peng-Robinson (PR) equation of state. No adjusting or fitting parameter is used. A comprehensive evaluation of the estimated values and literature data reveals the great accuracy of this model. To give a definite opinion, the obtained results of the proposed model were compared to experimental data and the results of four other thermodynamic models where the e-NRTL based model exhibits the least average absolute deviation (AAD). The average AAD of the e-NRTL based model results over 828 experimental data points was determined to be 0.59 K, which demonstrates an excellent agreement between the experimental data and the predicted/estimated values.



中文翻译:

使用基于 e-NRTL 的模型测定甲醇和盐水溶液中包合物水合物的解离条件

盐水和有机抑制剂对防止天然气和石油工业中包合物水合物的形成有相当大的作用。本研究的目的是展示一个模型,该模型能够估计 NaCl、KCl、CaCl 2 的影响和甲醇水溶液对纯水和气体混合物水合物在很宽的压力和温度范围内的平衡解离条件的影响。e-NRTL活度系数模型用于描述非理想的液相/水相。van der Waals 和 Platteeuw 的固溶体理论用于表征水合物相。气相由 Peng-Robinson (PR) 状态方程描述。不使用调整或拟合参数。对估计值和文献数据的综合评估表明该模型具有很高的准确性。为了给出明确的意见,将所提出模型的获得结果与实验数据和其他四个热力学模型的结果进行比较,其中基于 e-NRTL 的模型表现出最小的平均绝对偏差(AAD)。基于 e-NRTL 的模型结果超过 828 个实验数据点的平均AAD被确定为 0.59 K,这表明实验数据与预测/估计值之间具有极好的一致性。

更新日期:2021-07-12
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