Estimation of Solubility of BTEX, Light Hydrocarbons and Sour Gases in Triethylene Glycol Using the SAFT Equation of State

IF 1.4 Q3 CHEMISTRY, MULTIDISCIPLINARY

Physical Chemistry Research Pub Date : 2020-06-01 DOI:10.22036/PCR.2020.208933.1699

Najmeh Tazang, Farzad Alavi, J. Javanmardi

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引用次数: 1

Abstract

An accurate prediction of the absorption and desorption of Benzene, Toluene, Ethylbenzene, and Xylenes (BTEX) is important for the estimation of BTEX emissions from glycol units in natural gas processing plants. This work presents an approach to accurately model the solubilities of BTEX in triethylene glycol (TEG). The absorption of gases studied in this work into TEG is physical in nature, and therefore is treated as physisorption in modeling. The Huang-Radosz version of Statistical Associating Fluid Theory (SAFT-HR) Equation of State (EoS) was utilized to estimate the solubilities of BTEX in TEG. A new set of SAFT parameters for TEG, as well as a new set of binary interaction parameters between TEG and other components were obtained by fitting experimental vapor pressure and liquid density of TEG and available experimental binary VLE data, respectively. Using these parameters, solubility of multicomponent gases in TEG are accurately predicted. To have an estimate of the relative accuracy of SAFT-HR EoS, the results from Perturbed–Chain SAFT (PC–SAFT) and Peng–Robinson (PR) EoS are also reported. The overall average of root–mean–square deviation (RMSD) for binary and ternary systems studied in this work, using SAFT-HR, PC–SAFT, and PR EoS obtained equal to 0.12, 0.20, and 1.56, respectively.

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用SAFT状态方程估计BTEX、轻烃和酸性气体在三甘醇中的溶解度

准确预测苯、甲苯、乙苯和二甲苯（BTEX）的吸收和解吸对于估计天然气处理厂乙二醇装置的BTEX排放量非常重要。本文提出了一种精确模拟BTEX在三甘醇（TEG）中溶解度的方法。这项工作中研究的气体在TEG中的吸收本质上是物理的，因此在建模中被视为物理吸收。利用Huang Radosz版本的统计缔合流体理论（SAFT-HR）状态方程（EoS）来估计BTEX在TEG中的溶解度。通过拟合TEG的实验蒸汽压和液体密度以及可用的实验二元VLE数据，分别获得了TEG的一组新的SAFT参数，以及TEG与其他组分之间的一组二元相互作用参数。利用这些参数，可以准确地预测多组分气体在TEG中的溶解度。为了估计SAFT-HR-EoS的相对精度，还报道了扰动链SAFT（PC–SAFT）和Peng–Robinson（PR）EoS的结果。本工作中使用SAFT-HR、PC–SAFT和PR EoS研究的二元和三元系统的均方根偏差（RMSD）的总平均值分别等于0.12、0.20和1.56。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physical Chemistry Research CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

2.70

自引率

8.30%

发文量

期刊介绍： The motivation for this new journal is the tremendous increasing of useful articles in the field of Physical Chemistry and the related subjects in recent years, and the need of communication between Physical Chemists, Physicists and Biophysicists. We attempt to establish this fruitful communication and quick publication. High quality original papers in English dealing with experimental, theoretical and applied research related to physics and chemistry are welcomed. This journal accepts your report for publication as a regular article, review, and Letter. Review articles discussing specific areas of physical chemistry of current chemical or physical importance are also published. Subjects of Interest: Thermodynamics, Statistical Mechanics, Statistical Thermodynamics, Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry of Life Sciences, Surface Chemistry, Catalysis, Physical Chemistry of Electrochemistry, Kinetics, Nanochemistry and Nanophysics, Liquid Crystals, Ionic Liquid, Photochemistry, Experimental article of Physical chemistry. Mathematical Chemistry.