实验和 e-NRTL 模型预测了 2-((2-氨基乙基)-氨基)-乙醇水溶液中 CO2 的 VLE 和物种形成研究,Fluid Phase Equilibria

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实验和 e-NRTL 模型预测了 2-((2-氨基乙基)-氨基)-乙醇水溶液中 CO2 的 VLE 和物种形成研究
Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2019-12-01 , DOI: 10.1016/j.fluid.2019.112284
Satyajit Mukherjee , Amar N. Samanta

摘要最近，含有伯氨基和仲氨基的 2-((2-Aminoethyl) 氨基) 乙醇 (AEEA) 成为一种用于燃烧后 CO2 吸收的新溶剂。在这项工作中，在 0.51-4.11 mol AEEA.kg- 胺浓度范围内，在 303.15-343.15 K 的宽温度范围和高达 243 kPa 的压力下研究了水性 AEEA 中 CO2 吸收的汽液平衡（VLE） 1 水，使用搅拌池恒温装置。使用 Aspen V9.0 开发了基于电解质非随机两液体 (ENRTL) 理论的严格热力学一致模型，以关联和预测 AEEA 水溶液中 CO2 的气液平衡。该模型预测的 CO2 溶解度显示与实验数据的平均绝对偏差 (AAD) 的 28%。模型预测对参数、二元交互参数、本研究介绍了平衡常数、介电常数、纯组分物理性质和扩展 Antoine 蒸气压相关系数。使用 ENRTL 模型预测所有溶剂的平衡液相形态。ENRTL 模型还用于预测作为温度函数的单个平衡反应的反应热和作为 CO2 负载函数的 AEEA 水溶液中 CO2 的吸收热。

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Experimental and e-NRTL model predicted VLE of CO2 in aqueous solutions of 2-((2-aminoethyl)-amino)-ethanol and speciation study

Abstract Recently, 2-((2-Aminoethyl) amino) ethanol (AEEA), containing a primary and a secondary amino group, is focused as a new solvent for post-combustion CO2 absorption. In this work, vapour-liquid equilibrium (VLE) of CO2 absorption in the aqueous AEEA is studied over a wide temperature range of 303.15–343.15 K and pressure up to 243 kPa in the amine concentration range of 0.51–4.11 mol AEEA.kg−1 water using a stirred cell thermostatic setup. A rigorous thermodynamically consistent model based on Electrolyte Non-Random Two-Liquid (ENRTL) theory is developed using Aspen V9.0 to correlate and predict the vapour liquid equilibrium of CO2 in aqueous AEEA solutions. The model predicted CO2 solubility showing 28% of average absolute deviation (AAD) from experimental data. The model predicted pair parameters, binary interaction parameters, equilibrium constant, dielectric constant, pure component physical properties and coefficients of extended Antoine vapour pressure correlation are presented in this study. Equilibrium liquid phase speciation for all solvents is predicted using ENRTL-model. The ENRTL model is also used to predict the heat of reactions for the individual equilibrium reactions as function of temperature and the heat of absorption of CO2 in aqueous AEEA solutions as a function of CO2 loading.

更新日期：2019-12-01

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