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A New Generalized Empirical Correlation for Predicting Methane Hydrate Equilibrium Conditions in Pure Water
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2021-02-17 , DOI: 10.1021/acs.iecr.0c05833
Nithin B. Kummamuru 1 , Patrice Perreault 2, 3 , Silvia Lenaerts 1
Affiliation  

This work contributes to a new generalized empirical correlation for predicting methane (CH4) hydrate equilibrium conditions in pure water. Unlike the conventional thermodynamic approach that involves complex reckoning, the proposed empirical equation is developed by regressing 215 experimental data points from the literature and validating with 45 data points for predicting methane hydrate equilibrium conditions in pure water. The new correlation is proposed for a temperature and pressure range of 273.2–303.48 K and 2.63–72.26 MPa, respectively. The accuracy and performance of the proposed correlation is quantitatively evaluated using statistical error analysis. The proposed correlation was able to estimate CH4 hydrate equilibrium conditions satisfactorily with an R2 of 0.99987. The overall error analysis for the proposed correlation shows fair agreement with the experimental data reported within the literature. Concurrently, the new correlation showed better performance in predicting equilibrium conditions compared to those calculated by other empirical correlations available in the literature within the investigated range. In addition, the proposed empirical equation is also checked to evaluate its efficacy in fitting each set of experimental binary/ternary methane hydrates (BTMH) and binary hydrogen hydrates (BHH) for an accurate representation of equilibrium data over a wide range of composition, pressure, and temperature conditions. A maximum percentage deviation of 0.58% and 0.24% was observed between experimental and calculated equilibrium conditions for BTMH and BHH, respectively.

中文翻译:

预测纯水中甲烷水合物平衡条件的新的广义经验相关性

这项工作有助于预测纯水中的甲烷(CH 4)水合物平衡条件的新的广义经验相关性。与涉及复杂计算的常规热力学方法不同,拟议的经验方程式是通过对文献中的215个实验数据点进行回归并用45个数据点进行验证来预测纯水中的甲烷水合物平衡条件而开发出来的。提出了新的相关性,分别适用于273.2–303.48 K和2.63–72.26 MPa的温度和压力范围。使用统计误差分析定量评估提出的相关性的准确性和性能。所提出的相关性能够通过R令人满意地估算CH 4水合物平衡条件。2个0.99987。所提出的相关性的整体误差分析显示与文献中报道的实验数据完全吻合。同时,与通过研究范围内的文献中的其他经验相关性所计算出的那些相关性相比,新的相关性在预测平衡条件方面表现出更好的性能。此外,还检查了所提出的经验方程式,以评估其在拟合每组实验二元/三元甲烷水合物(BTMH)和二元氢水合物(BHH)时的功效,以便在广泛的组成,压力范围内准确表示平衡数据。 ,以及温度条件。在BTMH和BHH的实验条件和计算的平衡条件之间分别观察到最大百分比偏差为0.58%和0.24%。
更新日期:2021-03-03
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