(2-丙氧乙醇+ 3-二乙胺丙胺)混合溶液在T = 298.15-318.15 K和大气压下吸收CO2的密度、粘度和体积特性

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Jiyuan Zhang, Guojun Ji, Rui Cao, Bo Zhang, Qiang Li* and Jianbin Zhang*, 
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引用次数: 0

摘要

研究了2-丙氧基乙醇(2-PE) + 3-二乙基氨基丙胺(DEAPA)混合溶液在T =(298.15、303.15、308.15、313.15和318.15)K和P = 100.5 kPa时的密度和粘度特性。然后用最小二乘法拟合密度,用Arrhenius方程拟合粘度。根据密度和粘度的基本数据,计算了混合溶液的过量性能和热力学量,表明2-PE与DEAPA存在分子间相互作用。此外,计算化学和光谱分析用于探索分子间相互作用力的类型。通过计算化学优化了两种有机单分子和(2-PE + 2-PE、DEAPA + DEAPA和2-PE + DEAPA)双分子的最稳定构型,并推测了分子间的氢键(HB)。通过光谱分析,分别采用拉曼光谱和1H NMR光谱对(2-PE + DEAPA)混合溶液进行表征。进一步发现了与计算化学一致的氢键机理。随后,根据分子间强相互作用的摩尔比,(2-PE + DEAPA)混合溶液具有较强的吸收能力,固定CO2时间为150 min,吸收CO2浓度为0.6382 mol /mol DEAPA。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Density, Viscosity, and Volumetric Properties of (2-Propoxyethanol + 3-Diethylamino Propylamine) Mixed Solutions at T = 298.15–318.15 K and Atmospheric Pressure for Absorption of CO2

Density, Viscosity, and Volumetric Properties of (2-Propoxyethanol + 3-Diethylamino Propylamine) Mixed Solutions at T = 298.15–318.15 K and Atmospheric Pressure for Absorption of CO2

Density and viscosity properties of 2-propoxyethanol (2-PE) + 3-diethylamino propylamine (DEAPA) mixed solutions were investigated at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K and P = 100.5 kPa. After that, density was fitted well by the least-squares method, and viscosity was fitted well by the Arrhenius equation. According to basic data of density and viscosity, the excess properties and thermodynamic quantities of the mixed solutions were calculated, which indicated that an intermolecular interaction between 2-PE and DEAPA existed. Furthermore, computational chemistry and spectral analyses are used to explore the types of intermolecular interaction forces. Through computational chemistry, the most stable configurations of two organic single molecules and (2-PE + 2-PE, DEAPA + DEAPA, and 2-PE + DEAPA) bimolecules were optimized, and the hydrogen bond (HB) between the molecules was inferred. Through spectral analyses, Raman and 1H NMR spectra were respectively used to characterize the (2-PE + DEAPA) mixed solutions. The hydrogen bonding mechanism was further found to be consistent with computational chemistry. Subsequently, based on the molar ratio of the strong intermolecular interactions, the (2-PE + DEAPA) mixed solutions presented a strong absorption capability of 0.6382 mol of CO2/mol of DEAPA for CO2 fixation at 150 min.

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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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