乙二醇和1,3-丙二胺二元混合物的物理化学性质、相互作用分析和CO2捕获能力

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Xinyu Guan, Jiawei Pang, Fengran Tan, Shufang Liu, Ning Zhu and Jiehui Ye*, 
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引用次数: 0

摘要

在实验压力为100.5 kPa的条件下,在293.15 ~ 318.15 K的温度范围内,测定了乙二醇(EG)和1,3-丙二胺(1,3- pda)混合溶剂的密度(ρ)和粘度(η)。由这些测量得到了二元混合物的过量摩尔体积(VmE)、偏摩尔体积(V′s)、过量活化吉布斯能(ΔG*E)和热膨胀系数(αp)。采用Redlich-Kister (R-K)方程拟合了过量摩尔体积(VmE)、粘度偏差(Δη)和过量活化能(ΔG*E)的数据。通过光谱分析和密度泛函理论(DFT)计算证实了EG与1,3- pda之间的强氢键相互作用。此外,二元混合物表现出最强的分子间相互作用,表现出优异的CO2吸收能力,高达0.98 mol CO2/mol PDA,显著高于纯1,3-PDA的0.49 mol CO2/mol PDA。这种CO2吸收的增强可归因于强氢键相互作用,抑制了1,3- pda的挥发性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Physicochemical Properties, Interaction Analysis, and CO2 Capture Capacity for the Binary Mixtures of Ethylene Glycol and 1,3-Propanediamine

Physicochemical Properties, Interaction Analysis, and CO2 Capture Capacity for the Binary Mixtures of Ethylene Glycol and 1,3-Propanediamine

In this study, the density (ρ) and viscosity (η) of the mixed solvent of ethylene glycol (EG) and 1,3-propanediamine (1,3-PDA) were experimentally measured over a temperature range of 293.15–318.15 K under an experimental pressure of 100.5 kPa. From these measurements, the excess molar volumes (VmE), partial molar volume (), excess activation Gibbs energy (ΔG*E), and coefficient of thermal expansion (αp) of the binary mixtures were derived. The Redlich–Kister (R-K) equation was employed to fit the data for excess molar volume (VmE), viscosity deviation (Δη), and excess activation Gibbs energy (ΔG*E). Strong hydrogen bonding interactions between EG and 1,3-PDA were confirmed through spectroscopic analyses and density functional theory (DFT) calculations. Furthermore, the binary mixture exhibiting the strongest intermolecular interactions demonstrated an exceptional CO2 uptake capacity of up to 0.98 mol of CO2/mol of PDA, significantly higher than the 0.49 mol of CO2/mol of PDA observed for pure 1,3-PDA. This enhancement in CO2 absorption can be attributed to the strong hydrogen bonding interactions that suppress the volatility of 1,3-PDA.

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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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