Thermodynamic modelling of unloaded and loaded N,N-diethylethanolamine solutions
Thermodynamic modelling of unloaded and loaded N,N-diethylethanolamine solutions
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卸载和加载 N,N-二乙基乙醇胺溶液的热力学建模
DOI：
10.1016/j.gee.2016.11.003
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发表时间：
2016
影响因子：
13.3
通讯作者：
Garcia M
中科院分区：
文献类型：
--
作者：
Garcia M
化学吸收是几种化学工艺的关键步骤，例如氨生产、煤气化、甲烷重整、环氧乙烷生产和相关气流的处理[1]。二次燃烧是消除电厂CO2排放的主要方法之一，新型溶剂的使用是化学吸收碳捕集的重要研究方向。对于吸收塔和解吸塔的设计，必须了解汽液平衡（VLE）、吸收热和密度。N，N-二乙基乙醇胺（DEEA）似乎是再生所需能量最低的胺之一[2]，这将直接降低运行成本。与传统MEA溶剂（0.5 mol/mol胺）相比，DEEA具有1 mol/mol胺的高CO2负载，并且可从可再生资源中获得[1]。主要的弱点是它的低吸收率，因此使用的促进剂是可取的。在这项工作中，一个热力学模型的基础上的电解质非随机双液体理论（eNRTL）的创建和拟合的关联和预测的分压和总压的卸载和加载的水DEEA解决方案。得到了新的二元和三元体系的相互作用参数。该模型代表纯组分DEEA和H2O的蒸气压，AARD分别为1.9%和1.73%。此外，拟合模型预测的总压力以上的二元系统，H2O-DEEA，与AARD为0.05%。计算结果表明，在AARD = 5.63%和1.38%的条件下，超焓和超密度值分别为1.38%和5.63%。三级系统H2O-DEEA-CO2适用于2 M和5 M DEEA溶液，负载量在0.042和0.9 mol CO2/mol胺之间，最高可达80 °C。CO2分压和总压的AARD值分别为19.45%和16.18%。密度预测AARD为1.52%。
Chemical absorption is a crucial step for several chemical processes such as ammonia production, coal gasification, methane reforming, ethylene oxide manufacturing and treatment of associated gas streams [1]. It is considered one of the main processes to eliminate CO2emissions from power plants by post-combustion.Use of new solvents are of high interest in chemical absorption for carbon capture. For the design of the absorption and desorption columns it is essential to know the vapour–liquid equilibrium (VLE), heat of absorption and densities. N,N-diethylethanolamine (DEEA) appeared as one of the amines with the lowest amount of energy needed for its regeneration [2], which would directly decrease the operation costs. DEEA has a high CO2loading of 1 mol/mol of amine compared to the traditional MEA solvent (0.5 mol/mol amine) and is obtained from renewable sources [1]. The main weakness is its low absorption rate and consequently the use of promoters is desirable.In this work, a thermodynamic model based on the electrolyte non-random two-liquid theory (eNRTL) was created and fitted to correlate and predict the partial and total pressures of the unloaded and loaded aqueous DEEA solutions. New interaction parameters were obtained for the binary and tertiary system. This model represents the vapour pressures of the pure components, DEEA and H2O, with AARD of 1.9% and 1.73% respectively. Furthermore, the fitted model predicts the total pressure above the binary system, H2O-DEEA, with AARD of 0.05%. The excess of enthalpy and densities are predicted with AARD of 5.63% and 1.38% respectively. The tertiary system, H2O-DEEA-CO2, is fitted for 2 M and 5 M DEEA solutions with loading between 0.042 and 0.9 mol CO2/mol amine up to 80 °C. Results of CO2partial pressures and total pressures are reproduced, with AARD of 19.45% and 16.18% respectively. Densities are predicted with an AARD of 1.52%.
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