1,2 -乙二胺与1,4 -丁二醇二元液体混合物在不同温度下的体积和光谱性质

IF 2.218 Q2 Chemistry Chemical Data Collections Pub Date : 2023-10-01 DOI:10.1016/j.cdc.2023.101069
Pendam Prashanth Babu , Ganesh Babu Bathula , Bolloju Satheesh
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引用次数: 1

摘要

本文报道了1,2-乙二胺(EDA)、1,4 -丁二醇(BDO)及其二元混合物在0.1 MPa压力和293.15 ~ 313.15 K温度下的全摩尔分数中密度(ρ)的新实验值。根据实验结果,计算了摩尔体积(Vm)、过量摩尔体积(VmE)。观察到的VmE值与Redlich-Kister (R-K)多项式方程相关。利用Prigogine-Flory-Patterson理论对VmE进行了理论分析。此外,计算了整个摩尔分数范围内的表观摩尔体积(Vm,ϕ,1)和(Vm,ϕ,2),偏摩尔体积(V¯m,1和V¯m,2)和过量偏摩尔体积(V¯m,1E和V¯m,2E),以及无限稀释时的1,2-乙二胺和1,4-丁二醇的偏摩尔体积(V¯m, 10和V¯m, 20)和过量偏摩尔体积(V¯m,1oE和V¯m,2oE)。在此基础上,测定了氢键。此外,利用1H-NMR证实了EDA和BDO分子之间产生了新的氢键相互作用。
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Volumetric and spectroscopic properties of binary liquid mixtures of 1, 2-ethylenediamine with 1, 4-butanediol at varying temperature

The new experimental values of density (ρ) for 1,2-ethylenediamine (EDA), 1, 4-butanediol (BDO), and their binary mixtures were reported in the whole mole fraction of 1,2-ethylenediamine at 0.1 MPa pressure and a temperature from 293.15 K to 313.15 K. Using experimental results, molar volume (Vm), excess molar volume (VmE) was calculated. The observed VmE values were interrelated to Redlich-Kister (R-K) polynomial equation. Further, utilizing Prigogine-Flory-Patterson theory, the VmE was theoretically analyzed. Furthermore, apparent molar volumes (Vm,ϕ,1) and (Vm,ϕ,2), partial molar volumes (V¯m,1andV¯m,2), and excess partial molar volumes (V¯m,1E,andV¯m,2E) over the whole mole fraction range, also, partial molar volumes (V¯m,1o,andV¯m,2o) and excess partial molar volumes (V¯m,1oE,andV¯m,2oE) of the 1,2-ethylenediamine and 1,4-butanediol at infinite dilution were computed. Based on the results, the hydrogen-bonding were determined. Additionally, using 1H-NMR the creation of new H-bonding interaction between EDA and BDO molecules was confirmed.

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Chemical Data Collections
Chemical Data Collections Chemistry-Chemistry (all)
CiteScore
6.10
自引率
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发文量
169
审稿时长
24 days
期刊介绍: Chemical Data Collections (CDC) provides a publication outlet for the increasing need to make research material and data easy to share and re-use. Publication of research data with CDC will allow scientists to: -Make their data easy to find and access -Benefit from the fast publication process -Contribute to proper data citation and attribution -Publish their intermediate and null/negative results -Receive recognition for the work that does not fit traditional article format. The research data will be published as ''data articles'' that support fast and easy submission and quick peer-review processes. Data articles introduced by CDC are short self-contained publications about research materials and data. They must provide the scientific context of the described work and contain the following elements: a title, list of authors (plus affiliations), abstract, keywords, graphical abstract, metadata table, main text and at least three references. The journal welcomes submissions focusing on (but not limited to) the following categories of research output: spectral data, syntheses, crystallographic data, computational simulations, molecular dynamics and models, physicochemical data, etc.
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